(3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine

C16H22N4 — CID 124614437

IUPAC(3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine
SMILESCc1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1C
InChIInChI=1S/C16H22N4/c1-13-5-6-15(8-14(13)2)9-19-7-3-4-16(10-19)20-12-17-11-18-20/h5-6,8,11-12,16H,3-4,7,9-10H2,1-2H3/t16-/m1/s1
InChIKeyCGQMFUISWZMSLZ-MRXNPFEDSA-N
MW270.38 g/mol
LogP2.73
Rot. Bonds3

About (3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine

(3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine (PubChem CID 124614437) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is (3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine
PubChem CID124614437
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name(3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine
SMILESCc1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1C
InChIInChI=1S/C16H22N4/c1-13-5-6-15(8-14(13)2)9-19-7-3-4-16(10-19)20-12-17-11-18-20/h5-6,8,11-12,16H,3-4,7,9-10H2,1-2H3/t16-/m1/s1
InChIKeyCGQMFUISWZMSLZ-MRXNPFEDSA-N
XLogP2.73
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine
CID 126784882
1-[(2,3-dichlorophenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 122138465
1-[(1-cyclopropylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 136568371
4-methyl-5-[4-[[3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]methyl]phenyl]-1,3-thiazole
CID 136553474
4-tert-butyl-2-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 138055860
(3R)-1-[(3R)-3-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 129429411
N-(3,5-dimethylphenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide
CID 95153262
3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine
CID 83982751
(3R)-1-[(2S)-2-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 129358972
1-[(3,4-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770442
1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142
4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 43584622

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine?
The IUPAC name of (3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine (CID 124614437) is (3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine.
What is the SMILES notation for (3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine?
The canonical SMILES for (3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine is Cc1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1C.
What is the InChIKey of (3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine?
The InChIKey is CGQMFUISWZMSLZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-5-6-15(8-14(13)2)9-19-7-3-4-16(10-19)20-12-17-11-18-20/h5-6,8,11-12,16H,3-4,7,9-10H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine?
(3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine has a molecular weight of 270.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3,4-dimethylphenyl)methyl]-3-(1,2,4-triazol-1-yl)piperidine is sourced from PubChem (CID 124614437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).