N-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine

C20H24N6O2 — CID 133362403

IUPACN-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
SMILESCOc1cc(NC2CCCN(c3nnnn3-c3ccccc3)C2)cc(OC)c1
InChIInChI=1S/C20H24N6O2/c1-27-18-11-16(12-19(13-18)28-2)21-15-7-6-10-25(14-15)20-22-23-24-26(20)17-8-4-3-5-9-17/h3-5,8-9,11-13,15,21H,6-7,10,14H2,1-2H3
InChIKeyYNEPYCDVKRTGMO-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.76
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine

N-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine (PubChem CID 133362403) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
PubChem CID133362403
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
SMILESCOc1cc(NC2CCCN(c3nnnn3-c3ccccc3)C2)cc(OC)c1
InChIInChI=1S/C20H24N6O2/c1-27-18-11-16(12-19(13-18)28-2)21-15-7-6-10-25(14-15)20-22-23-24-26(20)17-8-4-3-5-9-17/h3-5,8-9,11-13,15,21H,6-7,10,14H2,1-2H3
InChIKeyYNEPYCDVKRTGMO-UHFFFAOYSA-N
XLogP2.76
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 55084372
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 102986512
methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate
CID 133444460
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-(4-methylphenyl)tetrazol-5-amine
CID 133357170
1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
CID 97262694
N-(3,5-dimethoxyphenyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
CID 133362371
N-(3,5-dimethoxyphenyl)-1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]piperidin-3-amine
CID 166218977
N-(3,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-amine
CID 133362377
1-(2-methyl-1,2,4-triazol-3-yl)-N-phenylpiperidin-3-amine
CID 166212705
(4aR,8aS)-6-(1-phenyltetrazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 154823989
1-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]imidazolidin-2-one
CID 133314224
5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide
CID 133362411

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine (CID 133362403) is N-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine is COc1cc(NC2CCCN(c3nnnn3-c3ccccc3)C2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine?
The InChIKey is YNEPYCDVKRTGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-27-18-11-16(12-19(13-18)28-2)21-15-7-6-10-25(14-15)20-22-23-24-26(20)17-8-4-3-5-9-17/h3-5,8-9,11-13,15,21H,6-7,10,14H2,1-2H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine?
N-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine has a molecular weight of 380.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine is sourced from PubChem (CID 133362403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).