1-butyl-4-tert-butylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-N-heptylpiperidin-4-amine;1-tert-butyl-N-hexylpiperidin-4-amine;1-tert-butyl-N-octylpiperidin-4-amine;4-tert-butyl-1-pentylpiperidine;4-tert-butyl-1-propylpiperidine

C108H226N10 — CID 167649939

IUPAC1-butyl-4-tert-butylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-N-heptylpiperidin-4-amine;1-tert-butyl-N-hexylpiperidin-4-amine;1-tert-butyl-N-octylpiperidin-4-amine;4-tert-butyl-1-pentylpiperidine;4-tert-butyl-1-propylpiperidine
SMILESCC(C)(C)C1CCCCC1.CCCCCCCCNC1CCN(C(C)(C)C)CC1.CCCCCCCNC1CCN(C(C)(C)C)CC1.CCCCCCNC1CCN(C(C)(C)C)CC1.CCCCCN1CCC(C(C)(C)C)CC1.CCCCN1CCC(C(C)(C)C)CC1.CCCN1CCC(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2.C16H34N2.C15H32N2.C14H29N.C13H27N.C12H25N.C11H23N.C10H20/c1-5-6-7-8-9-10-13-18-16-11-14-19(15-12-16)17(2,3)4;1-5-6-7-8-9-12-17-15-10-13-18(14-11-15)16(2,3)4;1-5-6-7-8-11-16-14-9-12-17(13-10-14)15(2,3)4;1-5-6-7-10-15-11-8-13(9-12-15)14(2,3)4;1-5-6-9-14-10-7-12(8-11-14)13(2,3)4;1-5-8-13-9-6-11(7-10-13)12(2,3)4;1-5-12-8-6-10(7-9-12)11(2,3)4;1-10(2,3)9-7-5-4-6-8-9/h16,18H,5-15H2,1-4H3;15,17H,5-14H2,1-4H3;14,16H,5-13H2,1-4H3;13H,5-12H2,1-4H3;12H,5-11H2,1-4H3;11H,5-10H2,1-4H3;10H,5-9H2,1-4H3;9H,4-8H2,1-3H3
InChIKeyQKSWPAIUUSKGBQ-UHFFFAOYSA-N
MW1665.07 g/mol
LogP28.44
Rot. Bonds31

About 1-butyl-4-tert-butylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-N-heptylpiperidin-4-amine;1-tert-butyl-N-hexylpiperidin-4-amine;1-tert-butyl-N-octylpiperidin-4-amine;4-tert-butyl-1-pentylpiperidine;4-tert-butyl-1-propylpiperidine

1-butyl-4-tert-butylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-N-heptylpiperidin-4-amine;1-tert-butyl-N-hexylpiperidin-4-amine;1-tert-butyl-N-octylpiperidin-4-amine;4-tert-butyl-1-pentylpiperidine;4-tert-butyl-1-propylpiperidine (PubChem CID 167649939) has the molecular formula C108H226N10 and a molecular weight of 1665.07 g/mol. Its IUPAC name is 1-butyl-4-tert-butylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-N-heptylpiperidin-4-amine;1-tert-butyl-N-hexylpiperidin-4-amine;1-tert-butyl-N-octylpiperidin-4-amine;4-tert-butyl-1-pentylpiperidine;4-tert-butyl-1-propylpiperidine.

Molecular Properties

Compound Name1-butyl-4-tert-butylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-N-heptylpiperidin-4-amine;1-tert-butyl-N-hexylpiperidin-4-amine;1-tert-butyl-N-octylpiperidin-4-amine;4-tert-butyl-1-pentylpiperidine;4-tert-butyl-1-propylpiperidine
PubChem CID167649939
Molecular FormulaC108H226N10
Molecular Weight1665.07 g/mol
Exact Mass1663.80
IUPAC Name1-butyl-4-tert-butylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-N-heptylpiperidin-4-amine;1-tert-butyl-N-hexylpiperidin-4-amine;1-tert-butyl-N-octylpiperidin-4-amine;4-tert-butyl-1-pentylpiperidine;4-tert-butyl-1-propylpiperidine
SMILESCC(C)(C)C1CCCCC1.CCCCCCCCNC1CCN(C(C)(C)C)CC1.CCCCCCCNC1CCN(C(C)(C)C)CC1.CCCCCCNC1CCN(C(C)(C)C)CC1.CCCCCN1CCC(C(C)(C)C)CC1.CCCCN1CCC(C(C)(C)C)CC1.CCCN1CCC(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2.C16H34N2.C15H32N2.C14H29N.C13H27N.C12H25N.C11H23N.C10H20/c1-5-6-7-8-9-10-13-18-16-11-14-19(15-12-16)17(2,3)4;1-5-6-7-8-9-12-17-15-10-13-18(14-11-15)16(2,3)4;1-5-6-7-8-11-16-14-9-12-17(13-10-14)15(2,3)4;1-5-6-7-10-15-11-8-13(9-12-15)14(2,3)4;1-5-6-9-14-10-7-12(8-11-14)13(2,3)4;1-5-8-13-9-6-11(7-10-13)12(2,3)4;1-5-12-8-6-10(7-9-12)11(2,3)4;1-10(2,3)9-7-5-4-6-8-9/h16,18H,5-15H2,1-4H3;15,17H,5-14H2,1-4H3;14,16H,5-13H2,1-4H3;13H,5-12H2,1-4H3;12H,5-11H2,1-4H3;11H,5-10H2,1-4H3;10H,5-9H2,1-4H3;9H,4-8H2,1-3H3
InChIKeyQKSWPAIUUSKGBQ-UHFFFAOYSA-N
XLogP28.44
TPSA58.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds31
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001665.07
LogP ≤ 528.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-butyl-4-tert-butylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-N-heptylpiperidin-4-amine;1-tert-butyl-N-hexylpiperidin-4-amine;1-tert-butyl-N-octylpiperidin-4-amine;4-tert-butyl-1-pentylpiperidine;4-tert-butyl-1-propylpiperidine 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

N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine
CID 62424326
1-(3-butoxypropyl)-4-tert-butylpiperazine;1-butyl-4-tert-butylpiperazine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-heptylpiperidine;4-tert-butyl-1-hexylpiperidine;4-tert-butyl-1-nonylpiperidine;4-tert-butyl-1-octylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperazine;N-(7,7-dimethyloctyl)-N-methylcyclohexanamine;N,7,7-trimethyl-N-propyloctan-1-amine
CID 167660939
N-(cyclohexylmethyl)-1-hexylpiperidin-4-amine
CID 91201253
N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
CID 61430975
1-dodecyl-N-ethylpiperidin-4-amine
CID 63400728
N-dodecylcyclohexanamine
CID 3679395
4-(4-tert-butylpiperidin-1-yl)-N-methylbutan-1-amine
CID 62084191
N-[2-(azepan-1-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61240570
1-butyl-N-(3-ethylsulfanylpropyl)piperidin-4-amine
CID 113373351
N-(2-cyclohexyloxyethyl)-1-propylpiperidin-4-amine
CID 63826760
N-[5-(azocan-1-yl)pentyl]cyclopropanamine
CID 55070436
N-ethyl-1-pentylpiperidin-4-amine
CID 43315098

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-tert-butylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-N-heptylpiperidin-4-amine;1-tert-butyl-N-hexylpiperidin-4-amine;1-tert-butyl-N-octylpiperidin-4-amine;4-tert-butyl-1-pentylpiperidine;4-tert-butyl-1-propylpiperidine?
The IUPAC name of 1-butyl-4-tert-butylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-N-heptylpiperidin-4-amine;1-tert-butyl-N-hexylpiperidin-4-amine;1-tert-butyl-N-octylpiperidin-4-amine;4-tert-butyl-1-pentylpiperidine;4-tert-butyl-1-propylpiperidine (CID 167649939) is 1-butyl-4-tert-butylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-N-heptylpiperidin-4-amine;1-tert-butyl-N-hexylpiperidin-4-amine;1-tert-butyl-N-octylpiperidin-4-amine;4-tert-butyl-1-pentylpiperidine;4-tert-butyl-1-propylpiperidine.
What is the SMILES notation for 1-butyl-4-tert-butylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-N-heptylpiperidin-4-amine;1-tert-butyl-N-hexylpiperidin-4-amine;1-tert-butyl-N-octylpiperidin-4-amine;4-tert-butyl-1-pentylpiperidine;4-tert-butyl-1-propylpiperidine?
The canonical SMILES for 1-butyl-4-tert-butylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-N-heptylpiperidin-4-amine;1-tert-butyl-N-hexylpiperidin-4-amine;1-tert-butyl-N-octylpiperidin-4-amine;4-tert-butyl-1-pentylpiperidine;4-tert-butyl-1-propylpiperidine is CC(C)(C)C1CCCCC1.CCCCCCCCNC1CCN(C(C)(C)C)CC1.CCCCCCCNC1CCN(C(C)(C)C)CC1.CCCCCCNC1CCN(C(C)(C)C)CC1.CCCCCN1CCC(C(C)(C)C)CC1.CCCCN1CCC(C(C)(C)C)CC1.CCCN1CCC(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-butyl-4-tert-butylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-N-heptylpiperidin-4-amine;1-tert-butyl-N-hexylpiperidin-4-amine;1-tert-butyl-N-octylpiperidin-4-amine;4-tert-butyl-1-pentylpiperidine;4-tert-butyl-1-propylpiperidine?
The InChIKey is QKSWPAIUUSKGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2.C16H34N2.C15H32N2.C14H29N.C13H27N.C12H25N.C11H23N.C10H20/c1-5-6-7-8-9-10-13-18-16-11-14-19(15-12-16)17(2,3)4;1-5-6-7-8-9-12-17-15-10-13-18(14-11-15)16(2,3)4;1-5-6-7-8-11-16-14-9-12-17(13-10-14)15(2,3)4;1-5-6-7-10-15-11-8-13(9-12-15)14(2,3)4;1-5-6-9-14-10-7-12(8-11-14)13(2,3)4;1-5-8-13-9-6-11(7-10-13)12(2,3)4;1-5-12-8-6-10(7-9-12)11(2,3)4;1-10(2,3)9-7-5-4-6-8-9/h16,18H,5-15H2,1-4H3;15,17H,5-14H2,1-4H3;14,16H,5-13H2,1-4H3;13H,5-12H2,1-4H3;12H,5-11H2,1-4H3;11H,5-10H2,1-4H3;10H,5-9H2,1-4H3;9H,4-8H2,1-3H3.
What are the key properties of 1-butyl-4-tert-butylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-N-heptylpiperidin-4-amine;1-tert-butyl-N-hexylpiperidin-4-amine;1-tert-butyl-N-octylpiperidin-4-amine;4-tert-butyl-1-pentylpiperidine;4-tert-butyl-1-propylpiperidine?
1-butyl-4-tert-butylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-N-heptylpiperidin-4-amine;1-tert-butyl-N-hexylpiperidin-4-amine;1-tert-butyl-N-octylpiperidin-4-amine;4-tert-butyl-1-pentylpiperidine;4-tert-butyl-1-propylpiperidine has a molecular weight of 1665.07 g/mol, XLogP of 28.44, 31 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-tert-butylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-N-heptylpiperidin-4-amine;1-tert-butyl-N-hexylpiperidin-4-amine;1-tert-butyl-N-octylpiperidin-4-amine;4-tert-butyl-1-pentylpiperidine;4-tert-butyl-1-propylpiperidine is sourced from PubChem (CID 167649939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).