1-cycloheptyl-4-[4-(2-methylpropyl)triazol-1-yl]piperidine

C18H32N4 — CID 46990983

IUPAC1-cycloheptyl-4-[4-(2-methylpropyl)triazol-1-yl]piperidine
SMILESCC(C)Cc1cn(C2CCN(C3CCCCCC3)CC2)nn1
InChIInChI=1S/C18H32N4/c1-15(2)13-16-14-22(20-19-16)18-9-11-21(12-10-18)17-7-5-3-4-6-8-17/h14-15,17-18H,3-13H2,1-2H3
InChIKeyCZDSMWXZTBPJFB-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.84
Rot. Bonds4

About 1-cycloheptyl-4-[4-(2-methylpropyl)triazol-1-yl]piperidine

1-cycloheptyl-4-[4-(2-methylpropyl)triazol-1-yl]piperidine (PubChem CID 46990983) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-cycloheptyl-4-[4-(2-methylpropyl)triazol-1-yl]piperidine.

Molecular Properties

Compound Name1-cycloheptyl-4-[4-(2-methylpropyl)triazol-1-yl]piperidine
PubChem CID46990983
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name1-cycloheptyl-4-[4-(2-methylpropyl)triazol-1-yl]piperidine
SMILESCC(C)Cc1cn(C2CCN(C3CCCCCC3)CC2)nn1
InChIInChI=1S/C18H32N4/c1-15(2)13-16-14-22(20-19-16)18-9-11-21(12-10-18)17-7-5-3-4-6-8-17/h14-15,17-18H,3-13H2,1-2H3
InChIKeyCZDSMWXZTBPJFB-UHFFFAOYSA-N
XLogP3.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-(Cyclohexylmethyl)triazol-1-yl]propyl]-4-methylpiperazine
CID 51354870
1-[3-[4-(Cyclohexylmethyl)triazol-1-yl]propyl]piperidine
CID 51354871
3-(1-Methyltriazol-4-yl)-1-azabicyclo[2.2.2]octane
CID 15669965
Ethenyl-[8-[4-(2-methylpropyl)triazol-1-yl]octylimino]-oxidoazanium
CID 149945424
N-cycloheptyl-3-[(4-isobutyl-1H-1,2,3-triazol-1-yl)methyl]piperidine-1-carboxamide
CID 46987642
4-(4-Cyclopentyltriazol-1-yl)-1-(2-methylprop-2-enyl)piperidine
CID 31075005
1-(1-Cyclopropylpropan-2-yl)-4-[4-(2-methylpropyl)triazol-1-yl]piperidine
CID 46985923
4-(4-cyclohexyl-1H-1,2,3-triazol-1-yl)-1-[3-(methylthio)butyl]piperidine
CID 46988796
4-[(4-cyclopropyl-1H-1,2,3-triazol-1-yl)methyl]-1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidine
CID 46989502
4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)-1-(2-ethylbutyl)piperidine
CID 46989658
4-(4-cyclohexyl-1H-1,2,3-triazol-1-yl)-1-(2-methylbutyl)piperidine
CID 46990234
4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)-1-(2-methylpentyl)piperidine
CID 46992535

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-[4-(2-methylpropyl)triazol-1-yl]piperidine?
The IUPAC name of 1-cycloheptyl-4-[4-(2-methylpropyl)triazol-1-yl]piperidine (CID 46990983) is 1-cycloheptyl-4-[4-(2-methylpropyl)triazol-1-yl]piperidine.
What is the SMILES notation for 1-cycloheptyl-4-[4-(2-methylpropyl)triazol-1-yl]piperidine?
The canonical SMILES for 1-cycloheptyl-4-[4-(2-methylpropyl)triazol-1-yl]piperidine is CC(C)Cc1cn(C2CCN(C3CCCCCC3)CC2)nn1.
What is the InChIKey of 1-cycloheptyl-4-[4-(2-methylpropyl)triazol-1-yl]piperidine?
The InChIKey is CZDSMWXZTBPJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-15(2)13-16-14-22(20-19-16)18-9-11-21(12-10-18)17-7-5-3-4-6-8-17/h14-15,17-18H,3-13H2,1-2H3.
What are the key properties of 1-cycloheptyl-4-[4-(2-methylpropyl)triazol-1-yl]piperidine?
1-cycloheptyl-4-[4-(2-methylpropyl)triazol-1-yl]piperidine has a molecular weight of 304.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-[4-(2-methylpropyl)triazol-1-yl]piperidine is sourced from PubChem (CID 46990983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).