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

C14H25N5 — CID 1432448

IUPAC(3R)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine
SMILESC[C@@H]1CCCN(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/t12-/m1/s1
InChIKeyBDPMBMNWOFCLAH-GFCCVEGCSA-N
MW263.39 g/mol
LogP2.41
Rot. Bonds3

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

(3R)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine (PubChem CID 1432448) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is (3R)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3R)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine
PubChem CID1432448
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name(3R)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine
SMILESC[C@@H]1CCCN(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/t12-/m1/s1
InChIKeyBDPMBMNWOFCLAH-GFCCVEGCSA-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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Related Compounds

4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-2-methyl-propyl]-morpholine
CID 646478
1-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-butyl]-4-cyclopentyl-piperazine
CID 6602651
1-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-propyl]-4-cyclopentyl-piperazine
CID 6603476
1-Cyclohexyl-4-[1-(1-cyclopentyl-1H-tetrazol-5-yl)-pentyl]-piperazine
CID 656327
1-(1-Cyclopentyl-1H-tetrazol-5-ylmethyl)-piperidine
CID 861294
1-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-4-cyclopentyl-piperazine
CID 654785
Cyclohexyl-[1-(1-cyclopentyl-1H-tetrazol-5-yl)-2-methyl-propyl]-methyl-amine
CID 6602534
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperidine
CID 9549573
Cyclohexyl-[1-(1-cyclopentyl-1H-tetrazol-5-yl)-2-methylpropyl]methylamine
CID 648509
3-(5-Methyltetrazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 19771029
3-(5-Ethyltetrazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 19771039
1-[1-(1-Cyclohexyl-5-tetrazolyl)butyl]-4-cyclopentylpiperazine
CID 646553

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine?
The IUPAC name of (3R)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine (CID 1432448) is (3R)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine.
What is the SMILES notation for (3R)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine?
The canonical SMILES for (3R)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine is C[C@@H]1CCCN(Cc2nnnn2C2CCCCC2)C1.
What is the InChIKey of (3R)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine?
The InChIKey is BDPMBMNWOFCLAH-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of (3R)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine?
(3R)-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 (3R)-1-[(1-cyclohexyltetrazol-5-yl)methyl]-3-methylpiperidine is sourced from PubChem (CID 1432448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).