1-(3-chlorophenyl)-4-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine

C23H30ClN3O — CID 30722364

IUPAC1-(3-chlorophenyl)-4-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine
SMILESCOc1ccccc1CN1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C23H30ClN3O/c1-28-23-10-3-2-6-19(23)17-25-11-5-9-22(18-25)27-14-12-26(13-15-27)21-8-4-7-20(24)16-21/h2-4,6-8,10,16,22H,5,9,11-15,17-18H2,1H3/t22-/m0/s1
InChIKeyAHVXUAHKPLIGIQ-QFIPXVFZSA-N
MW399.97 g/mol
LogP4.14
Rot. Bonds5

About 1-(3-chlorophenyl)-4-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine

1-(3-chlorophenyl)-4-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine (PubChem CID 30722364) has the molecular formula C23H30ClN3O and a molecular weight of 399.97 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine
PubChem CID30722364
Molecular FormulaC23H30ClN3O
Molecular Weight399.97 g/mol
Exact Mass399.21
IUPAC Name1-(3-chlorophenyl)-4-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine
SMILESCOc1ccccc1CN1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C23H30ClN3O/c1-28-23-10-3-2-6-19(23)17-25-11-5-9-22(18-25)27-14-12-26(13-15-27)21-8-4-7-20(24)16-21/h2-4,6-8,10,16,22H,5,9,11-15,17-18H2,1H3/t22-/m0/s1
InChIKeyAHVXUAHKPLIGIQ-QFIPXVFZSA-N
XLogP4.14
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.97
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929865
2-methoxy-6-[[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methyl]phenol
CID 29025709
1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine
CID 29029571
3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole
CID 45207862
1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 45215133
4-methoxy-2-[[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methyl]phenol
CID 51636167
3-(bromomethyl)-1-[(2-methoxyphenyl)methyl]piperidine
CID 80680227
4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27133567
1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine
CID 750588
2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728614
5-chloro-2-methoxy-4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]phenol
CID 28736729
1-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-hydroxyethanone
CID 95729472

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine (CID 30722364) is 1-(3-chlorophenyl)-4-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine is COc1ccccc1CN1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine?
The InChIKey is AHVXUAHKPLIGIQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H30ClN3O/c1-28-23-10-3-2-6-19(23)17-25-11-5-9-22(18-25)27-14-12-26(13-15-27)21-8-4-7-20(24)16-21/h2-4,6-8,10,16,22H,5,9,11-15,17-18H2,1H3/t22-/m0/s1.
What are the key properties of 1-(3-chlorophenyl)-4-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine?
1-(3-chlorophenyl)-4-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine has a molecular weight of 399.97 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine is sourced from PubChem (CID 30722364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).