(3R)-3-[(5-chloro-2-piperidin-4-ylphenyl)methyl]-1-methylpiperidine

C18H27ClN2 — CID 70821069

IUPAC(3R)-3-[(5-chloro-2-piperidin-4-ylphenyl)methyl]-1-methylpiperidine
SMILESCN1CCC[C@H](Cc2cc(Cl)ccc2C2CCNCC2)C1
InChIInChI=1S/C18H27ClN2/c1-21-10-2-3-14(13-21)11-16-12-17(19)4-5-18(16)15-6-8-20-9-7-15/h4-5,12,14-15,20H,2-3,6-11,13H2,1H3/t14-/m1/s1
InChIKeyTXKHFEXNOOUPBK-CQSZACIVSA-N
MW306.88 g/mol
LogP3.69
Rot. Bonds3

About (3R)-3-[(5-chloro-2-piperidin-4-ylphenyl)methyl]-1-methylpiperidine

(3R)-3-[(5-chloro-2-piperidin-4-ylphenyl)methyl]-1-methylpiperidine (PubChem CID 70821069) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is (3R)-3-[(5-chloro-2-piperidin-4-ylphenyl)methyl]-1-methylpiperidine.

Molecular Properties

Compound Name(3R)-3-[(5-chloro-2-piperidin-4-ylphenyl)methyl]-1-methylpiperidine
PubChem CID70821069
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC Name(3R)-3-[(5-chloro-2-piperidin-4-ylphenyl)methyl]-1-methylpiperidine
SMILESCN1CCC[C@H](Cc2cc(Cl)ccc2C2CCNCC2)C1
InChIInChI=1S/C18H27ClN2/c1-21-10-2-3-14(13-21)11-16-12-17(19)4-5-18(16)15-6-8-20-9-7-15/h4-5,12,14-15,20H,2-3,6-11,13H2,1H3/t14-/m1/s1
InChIKeyTXKHFEXNOOUPBK-CQSZACIVSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-chloro-2-piperidin-4-ylphenyl)methyl]-1-methylpiperidine?
The IUPAC name of (3R)-3-[(5-chloro-2-piperidin-4-ylphenyl)methyl]-1-methylpiperidine (CID 70821069) is (3R)-3-[(5-chloro-2-piperidin-4-ylphenyl)methyl]-1-methylpiperidine.
What is the SMILES notation for (3R)-3-[(5-chloro-2-piperidin-4-ylphenyl)methyl]-1-methylpiperidine?
The canonical SMILES for (3R)-3-[(5-chloro-2-piperidin-4-ylphenyl)methyl]-1-methylpiperidine is CN1CCC[C@H](Cc2cc(Cl)ccc2C2CCNCC2)C1.
What is the InChIKey of (3R)-3-[(5-chloro-2-piperidin-4-ylphenyl)methyl]-1-methylpiperidine?
The InChIKey is TXKHFEXNOOUPBK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-21-10-2-3-14(13-21)11-16-12-17(19)4-5-18(16)15-6-8-20-9-7-15/h4-5,12,14-15,20H,2-3,6-11,13H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-3-[(5-chloro-2-piperidin-4-ylphenyl)methyl]-1-methylpiperidine?
(3R)-3-[(5-chloro-2-piperidin-4-ylphenyl)methyl]-1-methylpiperidine has a molecular weight of 306.88 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-chloro-2-piperidin-4-ylphenyl)methyl]-1-methylpiperidine is sourced from PubChem (CID 70821069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).