3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile

C18H33N3 — CID 79628775

IUPAC3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C18H33N3/c1-5-20-18(14-19)10-6-7-16(13-18)21-11-8-15(9-12-21)17(2,3)4/h15-16,20H,5-13H2,1-4H3
InChIKeyPQZVOXQIHUKRFQ-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.56
Rot. Bonds3

About 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile

3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile (PubChem CID 79628775) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
PubChem CID79628775
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
SMILESCCNC1(C#N)CCCC(N2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C18H33N3/c1-5-20-18(14-19)10-6-7-16(13-18)21-11-8-15(9-12-21)17(2,3)4/h15-16,20H,5-13H2,1-4H3
InChIKeyPQZVOXQIHUKRFQ-UHFFFAOYSA-N
XLogP3.56
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile (CID 79628775) is 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile is CCNC1(C#N)CCCC(N2CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile?
The InChIKey is PQZVOXQIHUKRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-20-18(14-19)10-6-7-16(13-18)21-11-8-15(9-12-21)17(2,3)4/h15-16,20H,5-13H2,1-4H3.
What are the key properties of 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile?
3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile has a molecular weight of 291.48 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79628775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).