(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine

C13H17Cl2N — CID 144850667

IUPAC(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine
SMILESC[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C13H17Cl2N/c1-10-3-2-6-16(8-10)9-11-4-5-12(14)7-13(11)15/h4-5,7,10H,2-3,6,8-9H2,1H3/t10-/m1/s1
InChIKeyQOBOEOSUHPBIBH-SNVBAGLBSA-N
MW258.19 g/mol
LogP4.23
Rot. Bonds2

About (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine

(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine (PubChem CID 144850667) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine
PubChem CID144850667
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine
SMILESC[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C13H17Cl2N/c1-10-3-2-6-16(8-10)9-11-4-5-12(14)7-13(11)15/h4-5,7,10H,2-3,6,8-9H2,1H3/t10-/m1/s1
InChIKeyQOBOEOSUHPBIBH-SNVBAGLBSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
(9aS)-2-[(2,4-dichlorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124738071
1-[(2,4-dichlorophenyl)methyl]azetidine
CID 127007358
1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine
CID 177027739
1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpyrrolidine
CID 115602343
N-[[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582065
(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrrolidine;formaldehyde;3-methylthiophene
CID 142082667
(3R)-N-[(2S)-butan-2-yl]-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490067
(3S)-1-[(2,4-dichlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 762813
2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol
CID 112553322
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 93492122
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921942

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine?
The IUPAC name of (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine (CID 144850667) is (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine.
What is the SMILES notation for (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine?
The canonical SMILES for (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine is C[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine?
The InChIKey is QOBOEOSUHPBIBH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-10-3-2-6-16(8-10)9-11-4-5-12(14)7-13(11)15/h4-5,7,10H,2-3,6,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine?
(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine has a molecular weight of 258.19 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine is sourced from PubChem (CID 144850667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).