(2S)-2-methyl-1-(2-methyl-4-pyrrol-1-ylphenyl)piperidine

C17H22N2 — CID 100803653

IUPAC(2S)-2-methyl-1-(2-methyl-4-pyrrol-1-ylphenyl)piperidine
SMILESCc1cc(-n2cccc2)ccc1N1CCCC[C@@H]1C
InChIInChI=1S/C17H22N2/c1-14-13-16(18-10-5-6-11-18)8-9-17(14)19-12-4-3-7-15(19)2/h5-6,8-11,13,15H,3-4,7,12H2,1-2H3/t15-/m0/s1
InChIKeyFEDBZAJLQUOGHQ-HNNXBMFYSA-N
MW254.38 g/mol
LogP4.16
Rot. Bonds2

About (2S)-2-methyl-1-(2-methyl-4-pyrrol-1-ylphenyl)piperidine

(2S)-2-methyl-1-(2-methyl-4-pyrrol-1-ylphenyl)piperidine (PubChem CID 100803653) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (2S)-2-methyl-1-(2-methyl-4-pyrrol-1-ylphenyl)piperidine.

Molecular Properties

Compound Name(2S)-2-methyl-1-(2-methyl-4-pyrrol-1-ylphenyl)piperidine
PubChem CID100803653
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name(2S)-2-methyl-1-(2-methyl-4-pyrrol-1-ylphenyl)piperidine
SMILESCc1cc(-n2cccc2)ccc1N1CCCC[C@@H]1C
InChIInChI=1S/C17H22N2/c1-14-13-16(18-10-5-6-11-18)8-9-17(14)19-12-4-3-7-15(19)2/h5-6,8-11,13,15H,3-4,7,12H2,1-2H3/t15-/m0/s1
InChIKeyFEDBZAJLQUOGHQ-HNNXBMFYSA-N
XLogP4.16
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine
CID 146272450
2-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 43384883
3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]benzonitrile
CID 93392703
4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 94675572
[2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 169489236
2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde
CID 62135927
N'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 54882615
methyl 2-[(2S)-2-methylpiperidin-1-yl]-5-(1,2,4-triazol-4-yl)benzoate
CID 100803697
5-chloro-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40788179
(2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine
CID 97103063
3-chloro-4-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40787638
N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide
CID 99968968

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(2-methyl-4-pyrrol-1-ylphenyl)piperidine?
The IUPAC name of (2S)-2-methyl-1-(2-methyl-4-pyrrol-1-ylphenyl)piperidine (CID 100803653) is (2S)-2-methyl-1-(2-methyl-4-pyrrol-1-ylphenyl)piperidine.
What is the SMILES notation for (2S)-2-methyl-1-(2-methyl-4-pyrrol-1-ylphenyl)piperidine?
The canonical SMILES for (2S)-2-methyl-1-(2-methyl-4-pyrrol-1-ylphenyl)piperidine is Cc1cc(-n2cccc2)ccc1N1CCCC[C@@H]1C.
What is the InChIKey of (2S)-2-methyl-1-(2-methyl-4-pyrrol-1-ylphenyl)piperidine?
The InChIKey is FEDBZAJLQUOGHQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2/c1-14-13-16(18-10-5-6-11-18)8-9-17(14)19-12-4-3-7-15(19)2/h5-6,8-11,13,15H,3-4,7,12H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(2-methyl-4-pyrrol-1-ylphenyl)piperidine?
(2S)-2-methyl-1-(2-methyl-4-pyrrol-1-ylphenyl)piperidine has a molecular weight of 254.38 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(2-methyl-4-pyrrol-1-ylphenyl)piperidine is sourced from PubChem (CID 100803653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).