4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile

C19H34N2 — CID 63514177

IUPAC4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile
SMILESCCCC1CCN(C2CC(C(C)(C)C)CCC2C#N)CC1
InChIInChI=1S/C19H34N2/c1-5-6-15-9-11-21(12-10-15)18-13-17(19(2,3)4)8-7-16(18)14-20/h15-18H,5-13H2,1-4H3
InChIKeyFZNXRAIBDPTBOX-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.85
Rot. Bonds3

About 4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile

4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile (PubChem CID 63514177) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile
PubChem CID63514177
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile
SMILESCCCC1CCN(C2CC(C(C)(C)C)CCC2C#N)CC1
InChIInChI=1S/C19H34N2/c1-5-6-15-9-11-21(12-10-15)18-13-17(19(2,3)4)8-7-16(18)14-20/h15-18H,5-13H2,1-4H3
InChIKeyFZNXRAIBDPTBOX-UHFFFAOYSA-N
XLogP4.85
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 43291751
4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile
CID 43291506
2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile
CID 43291716
4-tert-butyl-2-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carbonitrile
CID 43291808
4-tert-butyl-2-(4-hydroxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 81097412
2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile
CID 43585983
2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile
CID 61441188
4-tert-butyl-2-(3-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 61434648
4-(2-methylbutan-2-yl)-2-thiomorpholin-4-ylcyclohexane-1-carbonitrile
CID 43291816
4-tert-butyl-2-(2-ethylazepan-1-yl)cyclohexane-1-carbonitrile
CID 104689861
4-ethyl-2-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 43291498
4-(2-methylbutan-2-yl)-2-(4-propylpiperidin-1-yl)cyclohexan-1-ol
CID 63472120

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile (CID 63514177) is 4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile is CCCC1CCN(C2CC(C(C)(C)C)CCC2C#N)CC1.
What is the InChIKey of 4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is FZNXRAIBDPTBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-5-6-15-9-11-21(12-10-15)18-13-17(19(2,3)4)8-7-16(18)14-20/h15-18H,5-13H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile?
4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 290.50 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-propylpiperidin-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 63514177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).