(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine

C13H18ClN — CID 42550070

IUPAC(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
SMILESC[C@@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C13H18ClN/c1-11-5-4-8-15(9-11)10-12-6-2-3-7-13(12)14/h2-3,6-7,11H,4-5,8-10H2,1H3/t11-/m1/s1
InChIKeyQUAZCBBGZZHVLQ-LLVKDONJSA-N
MW223.75 g/mol
LogP3.57
Rot. Bonds2

About (3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine

(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine (PubChem CID 42550070) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is (3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
PubChem CID42550070
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
SMILESC[C@@H]1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C13H18ClN/c1-11-5-4-8-15(9-11)10-12-6-2-3-7-13(12)14/h2-3,6-7,11H,4-5,8-10H2,1H3/t11-/m1/s1
InChIKeyQUAZCBBGZZHVLQ-LLVKDONJSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol
CID 112553322
(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine
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1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55069877
1-benzyl-3-methylpiperidine
CID 2794856
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CID 124738363
1-[(2-chlorophenyl)methyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041309
2-chloro-3-[(3-methylpiperidin-1-yl)methyl]pyridine;ethane
CID 145106063
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine?
The IUPAC name of (3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine (CID 42550070) is (3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine.
What is the SMILES notation for (3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine?
The canonical SMILES for (3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine is C[C@@H]1CCCN(Cc2ccccc2Cl)C1.
What is the InChIKey of (3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine?
The InChIKey is QUAZCBBGZZHVLQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18ClN/c1-11-5-4-8-15(9-11)10-12-6-2-3-7-13(12)14/h2-3,6-7,11H,4-5,8-10H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine?
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine has a molecular weight of 223.75 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine is sourced from PubChem (CID 42550070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).