[4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol

C19H27N5O2 — CID 56752872

IUPAC[4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol
SMILESOCC1(CC2CCCCO2)CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H27N5O2/c25-15-19(14-17-8-4-5-13-26-17)9-11-23(12-10-19)18-20-21-22-24(18)16-6-2-1-3-7-16/h1-3,6-7,17,25H,4-5,8-15H2
InChIKeyVLATVEWJKOTTJG-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.20
Rot. Bonds5

About [4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol

[4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol (PubChem CID 56752872) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is [4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol
PubChem CID56752872
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name[4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol
SMILESOCC1(CC2CCCCO2)CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H27N5O2/c25-15-19(14-17-8-4-5-13-26-17)9-11-23(12-10-19)18-20-21-22-24(18)16-6-2-1-3-7-16/h1-3,6-7,17,25H,4-5,8-15H2
InChIKeyVLATVEWJKOTTJG-UHFFFAOYSA-N
XLogP2.20
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[(2R)-oxan-2-yl]methylsulfanyl]-1-phenyltetrazole
CID 8003667
N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 8001539
2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine
CID 81211012
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
[(3S)-3-phenyl-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methanol
CID 124735845
2-[4-(hydroxymethyl)-4-(oxan-2-ylmethyl)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 56748458
2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol
CID 63309679
9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56884136
6-[4-(hydroxymethyl)-4-[[(2R)-oxan-2-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide
CID 95549432
[4-(oxan-2-ylmethyl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]methanol
CID 45195451
4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907

Frequently Asked Questions

What is the IUPAC name of [4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol?
The IUPAC name of [4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol (CID 56752872) is [4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol?
The canonical SMILES for [4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol is OCC1(CC2CCCCO2)CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of [4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol?
The InChIKey is VLATVEWJKOTTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c25-15-19(14-17-8-4-5-13-26-17)9-11-23(12-10-19)18-20-21-22-24(18)16-6-2-1-3-7-16/h1-3,6-7,17,25H,4-5,8-15H2.
What are the key properties of [4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol?
[4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol has a molecular weight of 357.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-2-ylmethyl)-1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 56752872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).