1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine

C14H25N5 — CID 3193563

IUPAC1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine
SMILESCC1CCCN(Cc2nnnn2C2CCCCC2)C1
InChIInChI=1S/C14H25N5/c1-12-6-5-9-18(10-12)11-14-15-16-17-19(14)13-7-3-2-4-8-13/h12-13H,2-11H2,1H3
InChIKeyBDPMBMNWOFCLAH-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.41
Rot. Bonds3

About 1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine

1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine (PubChem CID 3193563) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine
PubChem CID3193563
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine
SMILESCC1CCCN(Cc2nnnn2C2CCCCC2)C1
InChIInChI=1S/C14H25N5/c1-12-6-5-9-18(10-12)11-14-15-16-17-19(14)13-7-3-2-4-8-13/h12-13H,2-11H2,1H3
InChIKeyBDPMBMNWOFCLAH-UHFFFAOYSA-N
XLogP2.41
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine (CID 3193563) is 1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine is CC1CCCN(Cc2nnnn2C2CCCCC2)C1.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine?
The InChIKey is BDPMBMNWOFCLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-12-6-5-9-18(10-12)11-14-15-16-17-19(14)13-7-3-2-4-8-13/h12-13H,2-11H2,1H3.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine?
1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine has a molecular weight of 263.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine is sourced from PubChem (CID 3193563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).