(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine

C18H25N3 — CID 95876965

IUPAC(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine
SMILESCn1cc(CN2CCCC[C@H]2CCc2ccccc2)cn1
InChIInChI=1S/C18H25N3/c1-20-14-17(13-19-20)15-21-12-6-5-9-18(21)11-10-16-7-3-2-4-8-16/h2-4,7-8,13-14,18H,5-6,9-12,15H2,1H3/t18-/m0/s1
InChIKeyRVCPMJGXZVHVCD-SFHVURJKSA-N
MW283.42 g/mol
LogP3.41
Rot. Bonds5

About (2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine

(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine (PubChem CID 95876965) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine
PubChem CID95876965
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine
SMILESCn1cc(CN2CCCC[C@H]2CCc2ccccc2)cn1
InChIInChI=1S/C18H25N3/c1-20-14-17(13-19-20)15-21-12-6-5-9-18(21)11-10-16-7-3-2-4-8-16/h2-4,7-8,13-14,18H,5-6,9-12,15H2,1H3/t18-/m0/s1
InChIKeyRVCPMJGXZVHVCD-SFHVURJKSA-N
XLogP3.41
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-[[(2S)-2-(2-phenylethyl)piperidin-1-yl]methyl]pyrimidine
CID 95869234
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 60685295
2-[2-(1-methylimidazol-2-yl)ethyl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
CID 70732316
1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 79539306
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
4-[2-[(2R)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
CID 124948812
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine
CID 97101388
1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole
CID 95595150
(1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol
CID 97224996
N-methyl-4-[[2-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 56893944
3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006197

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine?
The IUPAC name of (2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine (CID 95876965) is (2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine.
What is the SMILES notation for (2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine?
The canonical SMILES for (2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine is Cn1cc(CN2CCCC[C@H]2CCc2ccccc2)cn1.
What is the InChIKey of (2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine?
The InChIKey is RVCPMJGXZVHVCD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N3/c1-20-14-17(13-19-20)15-21-12-6-5-9-18(21)11-10-16-7-3-2-4-8-16/h2-4,7-8,13-14,18H,5-6,9-12,15H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine?
(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine has a molecular weight of 283.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine is sourced from PubChem (CID 95876965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).