1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine

C18H28N2 — CID 30983085

IUPAC1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine
SMILESC[C@@H]1CCCCN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2/c1-16-7-5-6-12-20(16)18-10-13-19(14-11-18)15-17-8-3-2-4-9-17/h2-4,8-9,16,18H,5-7,10-15H2,1H3/t16-/m1/s1
InChIKeyLGWGJGAVDCGFRS-MRXNPFEDSA-N
MW272.44 g/mol
LogP3.53
Rot. Bonds3

About 1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine

1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine (PubChem CID 30983085) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine
PubChem CID30983085
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine
SMILESC[C@@H]1CCCCN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2/c1-16-7-5-6-12-20(16)18-10-13-19(14-11-18)15-17-8-3-2-4-9-17/h2-4,8-9,16,18H,5-7,10-15H2,1H3/t16-/m1/s1
InChIKeyLGWGJGAVDCGFRS-MRXNPFEDSA-N
XLogP3.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009557
N-[(1-benzylpiperidin-4-yl)methyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 126423909
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-(1-benzylpiperidin-4-yl)-2,5-dimethylpiperazine
CID 64979645
ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate
CID 2846487
4-(4-benzyl-2-methyl-1,4-diazepan-1-yl)cyclohexan-1-one
CID 130892782
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
1-benzylpyrrolidine;propane
CID 143692089
1-benzylazepane
CID 10954328
1-benzyl-4-[3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]imidazolidin-1-yl]piperidine
CID 69467154
(3S,5R)-1-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperazine
CID 130914689
2-[4-(2-methylpiperidin-1-yl)piperidin-1-yl]ethanamine
CID 131493626

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine?
The IUPAC name of 1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine (CID 30983085) is 1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine.
What is the SMILES notation for 1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine?
The canonical SMILES for 1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine is C[C@@H]1CCCCN1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine?
The InChIKey is LGWGJGAVDCGFRS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N2/c1-16-7-5-6-12-20(16)18-10-13-19(14-11-18)15-17-8-3-2-4-9-17/h2-4,8-9,16,18H,5-7,10-15H2,1H3/t16-/m1/s1.
What are the key properties of 1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine?
1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine has a molecular weight of 272.44 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(2R)-2-methylpiperidin-1-yl]piperidine is sourced from PubChem (CID 30983085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).