(3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine

C16H28N4 — CID 95111280

IUPAC(3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
SMILESCCn1cnnc1[C@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C16H28N4/c1-2-19-13-17-18-16(19)14-8-7-11-20(12-14)15-9-5-3-4-6-10-15/h13-15H,2-12H2,1H3/t14-/m0/s1
InChIKeyCSZQUMIIBQBMOE-AWEZNQCLSA-N
MW276.43 g/mol
LogP3.20
Rot. Bonds3

About (3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine

(3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 95111280) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is (3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
PubChem CID95111280
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name(3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
SMILESCCn1cnnc1[C@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C16H28N4/c1-2-19-13-17-18-16(19)14-8-7-11-20(12-14)15-9-5-3-4-6-10-15/h13-15H,2-12H2,1H3/t14-/m0/s1
InChIKeyCSZQUMIIBQBMOE-AWEZNQCLSA-N
XLogP3.20
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110913240
2-[(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-benzoxazole
CID 97211645
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 136519607
3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 50988337
[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53192735
1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 111538179
3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole
CID 79316888
1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95730649
3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115395572
(3S)-1-cycloheptyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 97188602
(3R)-1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 97060329
4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole
CID 133452045

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of (3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine (CID 95111280) is (3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for (3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for (3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine is CCn1cnnc1[C@H]1CCCN(C2CCCCCC2)C1.
What is the InChIKey of (3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is CSZQUMIIBQBMOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N4/c1-2-19-13-17-18-16(19)14-8-7-11-20(12-14)15-9-5-3-4-6-10-15/h13-15H,2-12H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine?
(3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 276.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 95111280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).