[(3S)-3-phenyl-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methanol

C19H21N5O — CID 124735845

IUPAC[(3S)-3-phenyl-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methanol
SMILESOC[C@]1(c2ccccc2)CCCN(c2nnnn2-c2ccccc2)C1
InChIInChI=1S/C19H21N5O/c25-15-19(16-8-3-1-4-9-16)12-7-13-23(14-19)18-20-21-22-24(18)17-10-5-2-6-11-17/h1-6,8-11,25H,7,12-15H2/t19-/m0/s1
InChIKeyNWYGQANSGWDFDL-IBGZPJMESA-N
MW335.41 g/mol
LogP2.19
Rot. Bonds4

About [(3S)-3-phenyl-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methanol

[(3S)-3-phenyl-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methanol (PubChem CID 124735845) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is [(3S)-3-phenyl-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-phenyl-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methanol
PubChem CID124735845
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name[(3S)-3-phenyl-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methanol
SMILESOC[C@]1(c2ccccc2)CCCN(c2nnnn2-c2ccccc2)C1
InChIInChI=1S/C19H21N5O/c25-15-19(16-8-3-1-4-9-16)12-7-13-23(14-19)18-20-21-22-24(18)17-10-5-2-6-11-17/h1-6,8-11,25H,7,12-15H2/t19-/m0/s1
InChIKeyNWYGQANSGWDFDL-IBGZPJMESA-N
XLogP2.19
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol
CID 63309679
[4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol
CID 56752872
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56884136
(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol
CID 133499657
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 102986512
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanethioamide
CID 63337234
2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine
CID 81211012
N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 55084372
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
2-[1-(1-phenyltetrazol-5-yl)azetidin-3-yl]acetic acid
CID 64616037
4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-phenyl-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-phenyl-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methanol (CID 124735845) is [(3S)-3-phenyl-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-phenyl-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-phenyl-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methanol is OC[C@]1(c2ccccc2)CCCN(c2nnnn2-c2ccccc2)C1.
What is the InChIKey of [(3S)-3-phenyl-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methanol?
The InChIKey is NWYGQANSGWDFDL-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21N5O/c25-15-19(16-8-3-1-4-9-16)12-7-13-23(14-19)18-20-21-22-24(18)17-10-5-2-6-11-17/h1-6,8-11,25H,7,12-15H2/t19-/m0/s1.
What are the key properties of [(3S)-3-phenyl-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methanol?
[(3S)-3-phenyl-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methanol has a molecular weight of 335.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-phenyl-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 124735845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).