N-methyl-1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]piperidin-3-amine

C15H22N6 — CID 62536344

IUPACN-methyl-1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]piperidin-3-amine
SMILESCNC1CCCN(C(C)c2cccc(-n3cnnn3)c2)C1
InChIInChI=1S/C15H22N6/c1-12(20-8-4-6-14(10-20)16-2)13-5-3-7-15(9-13)21-11-17-18-19-21/h3,5,7,9,11-12,14,16H,4,6,8,10H2,1-2H3
InChIKeyDQFMGDMNEJJMRV-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.41
Rot. Bonds4

About N-methyl-1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]piperidin-3-amine

N-methyl-1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]piperidin-3-amine (PubChem CID 62536344) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]piperidin-3-amine
PubChem CID62536344
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN-methyl-1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]piperidin-3-amine
SMILESCNC1CCCN(C(C)c2cccc(-n3cnnn3)c2)C1
InChIInChI=1S/C15H22N6/c1-12(20-8-4-6-14(10-20)16-2)13-5-3-7-15(9-13)21-11-17-18-19-21/h3,5,7,9,11-12,14,16H,4,6,8,10H2,1-2H3
InChIKeyDQFMGDMNEJJMRV-UHFFFAOYSA-N
XLogP1.41
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]azetidin-3-amine
CID 65244795
1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 65066522
[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146
2-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine
CID 43194972
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81493085
2,3-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]cyclohexan-1-amine
CID 43825842
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905925
3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]piperidin-2-one
CID 62093394
N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide
CID 95296179
2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61166998
N-(2-methylsulfinylethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 115720609
(3R)-1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 97060329

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]piperidin-3-amine (CID 62536344) is N-methyl-1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]piperidin-3-amine is CNC1CCCN(C(C)c2cccc(-n3cnnn3)c2)C1.
What is the InChIKey of N-methyl-1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]piperidin-3-amine?
The InChIKey is DQFMGDMNEJJMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-12(20-8-4-6-14(10-20)16-2)13-5-3-7-15(9-13)21-11-17-18-19-21/h3,5,7,9,11-12,14,16H,4,6,8,10H2,1-2H3.
What are the key properties of N-methyl-1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]piperidin-3-amine?
N-methyl-1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]piperidin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 1.41, 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-[3-(tetrazol-1-yl)phenyl]ethyl]piperidin-3-amine is sourced from PubChem (CID 62536344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).