N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine

C17H26N6 — CID 133301225

IUPACN-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine
SMILESCCCCN1CCCCC1CNc1nnnn1-c1ccccc1
InChIInChI=1S/C17H26N6/c1-2-3-12-22-13-8-7-11-16(22)14-18-17-19-20-21-23(17)15-9-5-4-6-10-15/h4-6,9-10,16H,2-3,7-8,11-14H2,1H3,(H,18,19,21)
InChIKeyCUKRRMANVCBJMO-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.73
Rot. Bonds7

About N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine

N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine (PubChem CID 133301225) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine
PubChem CID133301225
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC NameN-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine
SMILESCCCCN1CCCCC1CNc1nnnn1-c1ccccc1
InChIInChI=1S/C17H26N6/c1-2-3-12-22-13-8-7-11-16(22)14-18-17-19-20-21-23(17)15-9-5-4-6-10-15/h4-6,9-10,16H,2-3,7-8,11-14H2,1H3,(H,18,19,21)
InChIKeyCUKRRMANVCBJMO-UHFFFAOYSA-N
XLogP2.73
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 106026908
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine
CID 60855788
N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine
CID 64927678
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1-phenyltetrazol-5-amine
CID 125435857
N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 8001539
2-(1-butylpiperidin-2-yl)-N-methyl-1-phenylethanamine
CID 57046178
N-[(3-aminocyclobutyl)methyl]-1-phenyltetrazol-5-amine
CID 66007158
N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine
CID 93422505
6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133343187
2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine
CID 63392298
1-phenyl-5-[3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]tetrazole
CID 95340718
2,6-dimethyl-N-[(1-propylpiperidin-2-yl)methyl]aniline
CID 129171229

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine (CID 133301225) is N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine is CCCCN1CCCCC1CNc1nnnn1-c1ccccc1.
What is the InChIKey of N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine?
The InChIKey is CUKRRMANVCBJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-2-3-12-22-13-8-7-11-16(22)14-18-17-19-20-21-23(17)15-9-5-4-6-10-15/h4-6,9-10,16H,2-3,7-8,11-14H2,1H3,(H,18,19,21).
What are the key properties of N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine?
N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine has a molecular weight of 314.44 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 133301225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).