5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine

C26H29ClN2O — CID 110093308

IUPAC5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine
SMILESCOc1ccc(CCN2CCCC(c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cc1
InChIInChI=1S/C26H29ClN2O/c1-30-25-11-6-20(7-12-25)14-16-29-15-2-3-23(19-29)26-13-8-22(18-28-26)17-21-4-9-24(27)10-5-21/h4-13,18,23H,2-3,14-17,19H2,1H3
InChIKeyCGKNGGUNYZBLNS-UHFFFAOYSA-N
MW420.98 g/mol
LogP5.76
Rot. Bonds7

About 5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine

5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine (PubChem CID 110093308) has the molecular formula C26H29ClN2O and a molecular weight of 420.98 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine
PubChem CID110093308
Molecular FormulaC26H29ClN2O
Molecular Weight420.98 g/mol
Exact Mass420.20
IUPAC Name5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine
SMILESCOc1ccc(CCN2CCCC(c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cc1
InChIInChI=1S/C26H29ClN2O/c1-30-25-11-6-20(7-12-25)14-16-29-15-2-3-23(19-29)26-13-8-22(18-28-26)17-21-4-9-24(27)10-5-21/h4-13,18,23H,2-3,14-17,19H2,1H3
InChIKeyCGKNGGUNYZBLNS-UHFFFAOYSA-N
XLogP5.76
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.98
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine
CID 125027075
1-[(3S)-3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 92616437
4-[3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine
CID 110093323
3-[[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methyl]-6-methoxy-1-methylindole
CID 110093349
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672
3-(bromomethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 80679538
5-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine
CID 92616703
[(3S)-3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone
CID 129456327
3-chloro-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 65445936
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
1-[(3S)-3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 129458828
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42254398

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine (CID 110093308) is 5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine is COc1ccc(CCN2CCCC(c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine?
The InChIKey is CGKNGGUNYZBLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O/c1-30-25-11-6-20(7-12-25)14-16-29-15-2-3-23(19-29)26-13-8-22(18-28-26)17-21-4-9-24(27)10-5-21/h4-13,18,23H,2-3,14-17,19H2,1H3.
What are the key properties of 5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine?
5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine has a molecular weight of 420.98 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine is sourced from PubChem (CID 110093308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).