3-methyl-1-[(4-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)piperidine

C15H21N5 — CID 167942440

IUPAC3-methyl-1-[(4-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)piperidine
SMILESCc1ccc(CN2CCCC(C)(c3nn[nH]n3)C2)cc1
InChIInChI=1S/C15H21N5/c1-12-4-6-13(7-5-12)10-20-9-3-8-15(2,11-20)14-16-18-19-17-14/h4-7H,3,8-11H2,1-2H3,(H,16,17,18,19)
InChIKeyCWKCJNDLSKVTKU-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.06
Rot. Bonds3

About 3-methyl-1-[(4-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)piperidine

3-methyl-1-[(4-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)piperidine (PubChem CID 167942440) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-methyl-1-[(4-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)piperidine.

Molecular Properties

Compound Name3-methyl-1-[(4-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)piperidine
PubChem CID167942440
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-methyl-1-[(4-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)piperidine
SMILESCc1ccc(CN2CCCC(C)(c3nn[nH]n3)C2)cc1
InChIInChI=1S/C15H21N5/c1-12-4-6-13(7-5-12)10-20-9-3-8-15(2,11-20)14-16-18-19-17-14/h4-7H,3,8-11H2,1-2H3,(H,16,17,18,19)
InChIKeyCWKCJNDLSKVTKU-UHFFFAOYSA-N
XLogP2.06
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylphenyl)methyl]azepane
CID 3951815
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 166315007
3-[(4-fluorophenyl)methyl]-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 97370656
[4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol
CID 117012093
N,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878692
4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol
CID 110272355
1-[3-methyl-3-(2H-tetrazol-5-yl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 167987033
4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
CID 3244608
3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
5-(1-benzyl-3-methylpiperidin-3-yl)-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110272328
cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450466

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)piperidine?
The IUPAC name of 3-methyl-1-[(4-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)piperidine (CID 167942440) is 3-methyl-1-[(4-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)piperidine.
What is the SMILES notation for 3-methyl-1-[(4-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)piperidine?
The canonical SMILES for 3-methyl-1-[(4-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)piperidine is Cc1ccc(CN2CCCC(C)(c3nn[nH]n3)C2)cc1.
What is the InChIKey of 3-methyl-1-[(4-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)piperidine?
The InChIKey is CWKCJNDLSKVTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-12-4-6-13(7-5-12)10-20-9-3-8-15(2,11-20)14-16-18-19-17-14/h4-7H,3,8-11H2,1-2H3,(H,16,17,18,19).
What are the key properties of 3-methyl-1-[(4-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)piperidine?
3-methyl-1-[(4-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)piperidine has a molecular weight of 271.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)piperidine is sourced from PubChem (CID 167942440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).