(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine

C12H16N6 — CID 102986512

IUPAC(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
SMILESN[C@@H]1CCCN(c2nnnn2-c2ccccc2)C1
InChIInChI=1S/C12H16N6/c13-10-5-4-8-17(9-10)12-14-15-16-18(12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,13H2/t10-/m1/s1
InChIKeyGHUBERSACLPZNK-SNVBAGLBSA-N
MW244.30 g/mol
LogP0.59
Rot. Bonds2

About (3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine

(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine (PubChem CID 102986512) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is (3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
PubChem CID102986512
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
SMILESN[C@@H]1CCCN(c2nnnn2-c2ccccc2)C1
InChIInChI=1S/C12H16N6/c13-10-5-4-8-17(9-10)12-14-15-16-18(12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,13H2/t10-/m1/s1
InChIKeyGHUBERSACLPZNK-SNVBAGLBSA-N
XLogP0.59
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 55084372
1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
CID 97262694
2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 114802333
1-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]imidazolidin-2-one
CID 133314224
4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
1-[[(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95191744
3-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 17418452
(4aR,8aS)-6-(1-phenyltetrazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 154823989
methyl 2-methyl-2-[1-(1-phenyltetrazol-5-yl)piperidin-3-yl]propanoate
CID 133444460
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
N-(3,5-dimethoxyphenyl)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 133362403

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine?
The IUPAC name of (3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine (CID 102986512) is (3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine is N[C@@H]1CCCN(c2nnnn2-c2ccccc2)C1.
What is the InChIKey of (3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine?
The InChIKey is GHUBERSACLPZNK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N6/c13-10-5-4-8-17(9-10)12-14-15-16-18(12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,13H2/t10-/m1/s1.
What are the key properties of (3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine?
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine has a molecular weight of 244.30 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine is sourced from PubChem (CID 102986512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).