N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride

C14H21ClN6 — CID 119920301

IUPACN-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2nnnn2-c2ccccc2)C1.Cl
InChIInChI=1S/C14H20N6.ClH/c1-15-12-6-5-9-19(10-12)11-14-16-17-18-20(14)13-7-3-2-4-8-13;/h2-4,7-8,12,15H,5-6,9-11H2,1H3;1H
InChIKeyCEVAARLIQNZBIZ-UHFFFAOYSA-N
MW308.82 g/mol
LogP1.27
Rot. Bonds4

About N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride

N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride (PubChem CID 119920301) has the molecular formula C14H21ClN6 and a molecular weight of 308.82 g/mol. Its IUPAC name is N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
PubChem CID119920301
Molecular FormulaC14H21ClN6
Molecular Weight308.82 g/mol
Exact Mass308.15
IUPAC NameN-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2nnnn2-c2ccccc2)C1.Cl
InChIInChI=1S/C14H20N6.ClH/c1-15-12-6-5-9-19(10-12)11-14-16-17-18-20(14)13-7-3-2-4-8-13;/h2-4,7-8,12,15H,5-6,9-11H2,1H3;1H
InChIKeyCEVAARLIQNZBIZ-UHFFFAOYSA-N
XLogP1.27
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.82
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 55084372
ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate
CID 31314529
N-(2-aminoethyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119917289
(3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 95309762
N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 119919223
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-(6-methyl-2-pyridinyl)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide
CID 87008642
N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine
CID 60673062
3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine
CID 120775351
[3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119926252
N-methyl-1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 120834032

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride (CID 119920301) is N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride is CNC1CCCN(Cc2nnnn2-c2ccccc2)C1.Cl.
What is the InChIKey of N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride?
The InChIKey is CEVAARLIQNZBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6.ClH/c1-15-12-6-5-9-19(10-12)11-14-16-17-18-20(14)13-7-3-2-4-8-13;/h2-4,7-8,12,15H,5-6,9-11H2,1H3;1H.
What are the key properties of N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride?
N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride has a molecular weight of 308.82 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 119920301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).