2-(4-tert-butylpiperidin-1-yl)ethanol;4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine;4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine;3-(4-methyl-4-propan-2-ylpiperidin-1-yl)propanenitrile;4-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;4-(3-propan-2-ylcyclobutyl)butanenitrile;5-[2-(4-propan-2-ylcyclohexyl)ethyl]pyrimidine

C84H151F3N10O3S — CID 157312745

IUPAC2-(4-tert-butylpiperidin-1-yl)ethanol;4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine;4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine;3-(4-methyl-4-propan-2-ylpiperidin-1-yl)propanenitrile;4-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;4-(3-propan-2-ylcyclobutyl)butanenitrile;5-[2-(4-propan-2-ylcyclohexyl)ethyl]pyrimidine
SMILESCC(C)(C)C1CCN(CCC(F)(F)F)CC1.CC(C)(C)C1CCN(CCO)CC1.CC(C)C1(C)CCN(CCC#N)CC1.CC(C)C1(C)CCN(S(C)(=O)=O)CC1.CC(C)C1CC(CCCC#N)C1.CC(C)C1CCC(CCc2cncnc2)CC1.CC1CCC(NCc2cccnc2)CC1
InChIInChI=1S/C15H24N2.C13H20N2.C12H22F3N.C12H22N2.C11H23NO.C11H19N.C10H21NO2S/c1-12(2)15-7-5-13(6-8-15)3-4-14-9-16-11-17-10-14;1-11-4-6-13(7-5-11)15-10-12-3-2-8-14-9-12;1-11(2,3)10-4-7-16(8-5-10)9-6-12(13,14)15;1-11(2)12(3)5-9-14(10-6-12)8-4-7-13;1-11(2,3)10-4-6-12(7-5-10)8-9-13;1-9(2)11-7-10(8-11)5-3-4-6-12;1-9(2)10(3)5-7-11(8-6-10)14(4,12)13/h9-13,15H,3-8H2,1-2H3;2-3,8-9,11,13,15H,4-7,10H2,1H3;10H,4-9H2,1-3H3;11H,4-6,8-10H2,1-3H3;10,13H,4-9H2,1-3H3;9-11H,3-5,7-8H2,1-2H3;9H,5-8H2,1-4H3
InChIKeyBDFPUMICBWIBQU-UHFFFAOYSA-N
MW1438.26 g/mol
LogP19.78
Rot. Bonds20

About 2-(4-tert-butylpiperidin-1-yl)ethanol;4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine;4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine;3-(4-methyl-4-propan-2-ylpiperidin-1-yl)propanenitrile;4-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;4-(3-propan-2-ylcyclobutyl)butanenitrile;5-[2-(4-propan-2-ylcyclohexyl)ethyl]pyrimidine

2-(4-tert-butylpiperidin-1-yl)ethanol;4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine;4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine;3-(4-methyl-4-propan-2-ylpiperidin-1-yl)propanenitrile;4-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;4-(3-propan-2-ylcyclobutyl)butanenitrile;5-[2-(4-propan-2-ylcyclohexyl)ethyl]pyrimidine (PubChem CID 157312745) has the molecular formula C84H151F3N10O3S and a molecular weight of 1438.26 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)ethanol;4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine;4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine;3-(4-methyl-4-propan-2-ylpiperidin-1-yl)propanenitrile;4-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;4-(3-propan-2-ylcyclobutyl)butanenitrile;5-[2-(4-propan-2-ylcyclohexyl)ethyl]pyrimidine.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)ethanol;4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine;4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine;3-(4-methyl-4-propan-2-ylpiperidin-1-yl)propanenitrile;4-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;4-(3-propan-2-ylcyclobutyl)butanenitrile;5-[2-(4-propan-2-ylcyclohexyl)ethyl]pyrimidine
PubChem CID157312745
Molecular FormulaC84H151F3N10O3S
Molecular Weight1438.26 g/mol
Exact Mass1437.16
IUPAC Name2-(4-tert-butylpiperidin-1-yl)ethanol;4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine;4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine;3-(4-methyl-4-propan-2-ylpiperidin-1-yl)propanenitrile;4-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;4-(3-propan-2-ylcyclobutyl)butanenitrile;5-[2-(4-propan-2-ylcyclohexyl)ethyl]pyrimidine
SMILESCC(C)(C)C1CCN(CCC(F)(F)F)CC1.CC(C)(C)C1CCN(CCO)CC1.CC(C)C1(C)CCN(CCC#N)CC1.CC(C)C1(C)CCN(S(C)(=O)=O)CC1.CC(C)C1CC(CCCC#N)C1.CC(C)C1CCC(CCc2cncnc2)CC1.CC1CCC(NCc2cccnc2)CC1
InChIInChI=1S/C15H24N2.C13H20N2.C12H22F3N.C12H22N2.C11H23NO.C11H19N.C10H21NO2S/c1-12(2)15-7-5-13(6-8-15)3-4-14-9-16-11-17-10-14;1-11-4-6-13(7-5-11)15-10-12-3-2-8-14-9-12;1-11(2,3)10-4-7-16(8-5-10)9-6-12(13,14)15;1-11(2)12(3)5-9-14(10-6-12)8-4-7-13;1-11(2,3)10-4-6-12(7-5-10)8-9-13;1-9(2)11-7-10(8-11)5-3-4-6-12;1-9(2)10(3)5-7-11(8-6-10)14(4,12)13/h9-13,15H,3-8H2,1-2H3;2-3,8-9,11,13,15H,4-7,10H2,1H3;10H,4-9H2,1-3H3;11H,4-6,8-10H2,1-3H3;10,13H,4-9H2,1-3H3;9-11H,3-5,7-8H2,1-2H3;9H,5-8H2,1-4H3
InChIKeyBDFPUMICBWIBQU-UHFFFAOYSA-N
XLogP19.78
TPSA165.61 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001438.26
LogP ≤ 519.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-tert-butylpiperidin-1-yl)ethanol;4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine;4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine;3-(4-methyl-4-propan-2-ylpiperidin-1-yl)propanenitrile;4-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;4-(3-propan-2-ylcyclobutyl)butanenitrile;5-[2-(4-propan-2-ylcyclohexyl)ethyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carbanide;3-(4-piperidin-4-yl-2-pyridin-4-ylpyrimidin-5-yl)benzonitrile;3-[2-pyridin-4-yl-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidin-5-yl]benzonitrile;2,2,2-trifluoroethyl trifluoromethanesulfonate
CID 162197989
ethane;5-[2-(4-methylcyclohexyl)ethyl]pyrimidine;4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine;3-(4-methyl-3-propan-2-ylpiperidin-1-yl)-3-oxopropanenitrile;3-(3-methyl-4-propan-2-ylpiperidin-1-yl)propanenitrile;3-(4-methyl-4-propan-2-ylpiperidin-1-yl)propanenitrile;4-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;4-(3-propan-2-ylcyclobutyl)butanenitrile;3-[2-(3-propan-2-ylcyclobutyl)ethyl]benzonitrile
CID 160416993

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)ethanol;4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine;4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine;3-(4-methyl-4-propan-2-ylpiperidin-1-yl)propanenitrile;4-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;4-(3-propan-2-ylcyclobutyl)butanenitrile;5-[2-(4-propan-2-ylcyclohexyl)ethyl]pyrimidine?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)ethanol;4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine;4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine;3-(4-methyl-4-propan-2-ylpiperidin-1-yl)propanenitrile;4-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;4-(3-propan-2-ylcyclobutyl)butanenitrile;5-[2-(4-propan-2-ylcyclohexyl)ethyl]pyrimidine (CID 157312745) is 2-(4-tert-butylpiperidin-1-yl)ethanol;4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine;4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine;3-(4-methyl-4-propan-2-ylpiperidin-1-yl)propanenitrile;4-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;4-(3-propan-2-ylcyclobutyl)butanenitrile;5-[2-(4-propan-2-ylcyclohexyl)ethyl]pyrimidine.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)ethanol;4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine;4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine;3-(4-methyl-4-propan-2-ylpiperidin-1-yl)propanenitrile;4-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;4-(3-propan-2-ylcyclobutyl)butanenitrile;5-[2-(4-propan-2-ylcyclohexyl)ethyl]pyrimidine?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)ethanol;4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine;4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine;3-(4-methyl-4-propan-2-ylpiperidin-1-yl)propanenitrile;4-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;4-(3-propan-2-ylcyclobutyl)butanenitrile;5-[2-(4-propan-2-ylcyclohexyl)ethyl]pyrimidine is CC(C)(C)C1CCN(CCC(F)(F)F)CC1.CC(C)(C)C1CCN(CCO)CC1.CC(C)C1(C)CCN(CCC#N)CC1.CC(C)C1(C)CCN(S(C)(=O)=O)CC1.CC(C)C1CC(CCCC#N)C1.CC(C)C1CCC(CCc2cncnc2)CC1.CC1CCC(NCc2cccnc2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)ethanol;4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine;4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine;3-(4-methyl-4-propan-2-ylpiperidin-1-yl)propanenitrile;4-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;4-(3-propan-2-ylcyclobutyl)butanenitrile;5-[2-(4-propan-2-ylcyclohexyl)ethyl]pyrimidine?
The InChIKey is BDFPUMICBWIBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.C13H20N2.C12H22F3N.C12H22N2.C11H23NO.C11H19N.C10H21NO2S/c1-12(2)15-7-5-13(6-8-15)3-4-14-9-16-11-17-10-14;1-11-4-6-13(7-5-11)15-10-12-3-2-8-14-9-12;1-11(2,3)10-4-7-16(8-5-10)9-6-12(13,14)15;1-11(2)12(3)5-9-14(10-6-12)8-4-7-13;1-11(2,3)10-4-6-12(7-5-10)8-9-13;1-9(2)11-7-10(8-11)5-3-4-6-12;1-9(2)10(3)5-7-11(8-6-10)14(4,12)13/h9-13,15H,3-8H2,1-2H3;2-3,8-9,11,13,15H,4-7,10H2,1H3;10H,4-9H2,1-3H3;11H,4-6,8-10H2,1-3H3;10,13H,4-9H2,1-3H3;9-11H,3-5,7-8H2,1-2H3;9H,5-8H2,1-4H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)ethanol;4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine;4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine;3-(4-methyl-4-propan-2-ylpiperidin-1-yl)propanenitrile;4-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;4-(3-propan-2-ylcyclobutyl)butanenitrile;5-[2-(4-propan-2-ylcyclohexyl)ethyl]pyrimidine?
2-(4-tert-butylpiperidin-1-yl)ethanol;4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine;4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine;3-(4-methyl-4-propan-2-ylpiperidin-1-yl)propanenitrile;4-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;4-(3-propan-2-ylcyclobutyl)butanenitrile;5-[2-(4-propan-2-ylcyclohexyl)ethyl]pyrimidine has a molecular weight of 1438.26 g/mol, XLogP of 19.78, 20 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)ethanol;4-tert-butyl-1-(3,3,3-trifluoropropyl)piperidine;4-methyl-1-methylsulfonyl-4-propan-2-ylpiperidine;3-(4-methyl-4-propan-2-ylpiperidin-1-yl)propanenitrile;4-methyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;4-(3-propan-2-ylcyclobutyl)butanenitrile;5-[2-(4-propan-2-ylcyclohexyl)ethyl]pyrimidine is sourced from PubChem (CID 157312745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).