4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidin-4-ol

C14H19N5O — CID 175708317

IUPAC4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidin-4-ol
SMILESCn1nnc(C(c2ccccc2)C2(O)CCNCC2)n1
InChIInChI=1S/C14H19N5O/c1-19-17-13(16-18-19)12(11-5-3-2-4-6-11)14(20)7-9-15-10-8-14/h2-6,12,15,20H,7-10H2,1H3
InChIKeyZSONYLJQPPRMLL-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.46
Rot. Bonds3

About 4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidin-4-ol

4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidin-4-ol (PubChem CID 175708317) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidin-4-ol
PubChem CID175708317
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidin-4-ol
SMILESCn1nnc(C(c2ccccc2)C2(O)CCNCC2)n1
InChIInChI=1S/C14H19N5O/c1-19-17-13(16-18-19)12(11-5-3-2-4-6-11)14(20)7-9-15-10-8-14/h2-6,12,15,20H,7-10H2,1H3
InChIKeyZSONYLJQPPRMLL-UHFFFAOYSA-N
XLogP0.46
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Tert-butyl 4-[[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]-4-hydroxypiperidine-1-carboxylate
CID 156640539
4-Fluoro-4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidine
CID 175708292
1-[(2-Methyltetrazol-5-yl)-phenylmethyl]cyclohexan-1-ol
CID 9993401
(3S,4S)-5-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol
CID 129264683
(3S,4S)-3-propan-2-yl-5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)pent-1-en-2-ol
CID 129264707
(3S,4S)-5-[2-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]-3-propan-2-yl-4-(2H-tetrazol-5-yl)pent-1-en-2-ol
CID 129264714
(3S,4S)-3-cyclopentyl-5-(4-piperidin-4-ylphenyl)-4-(2H-tetrazol-5-yl)pent-1-en-2-ol
CID 129264715
Tert-butyl 4-hydroxy-4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidine-1-carboxylate
CID 156094132
1-[(1-Methyltetrazol-5-yl)-phenylmethyl]cyclohexan-1-ol
CID 15150756
1-[(2-Methyltetrazol-5-yl)methyl]-2-phenylcyclohexan-1-ol
CID 107045682
2-Benzyl-1-(2-methyltetrazol-5-yl)butan-2-ol
CID 107046106
1-Amino-3-(2-methyltetrazol-5-yl)-2-phenylpropan-2-ol
CID 107046317

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidin-4-ol?
The IUPAC name of 4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidin-4-ol (CID 175708317) is 4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidin-4-ol.
What is the SMILES notation for 4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidin-4-ol?
The canonical SMILES for 4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidin-4-ol is Cn1nnc(C(c2ccccc2)C2(O)CCNCC2)n1.
What is the InChIKey of 4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidin-4-ol?
The InChIKey is ZSONYLJQPPRMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-19-17-13(16-18-19)12(11-5-3-2-4-6-11)14(20)7-9-15-10-8-14/h2-6,12,15,20H,7-10H2,1H3.
What are the key properties of 4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidin-4-ol?
4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidin-4-ol has a molecular weight of 273.34 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidin-4-ol is sourced from PubChem (CID 175708317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).