(2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine

C24H33N3O — CID 95047414

IUPAC(2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine
SMILESCOc1cccc(-c2ccc(N3CCC(N4CCN(C)[C@H](C)C4)CC3)cc2)c1
InChIInChI=1S/C24H33N3O/c1-19-18-27(16-15-25(19)2)23-11-13-26(14-12-23)22-9-7-20(8-10-22)21-5-4-6-24(17-21)28-3/h4-10,17,19,23H,11-16,18H2,1-3H3/t19-/m1/s1
InChIKeyHJBAFFNSMJKJHZ-LJQANCHMSA-N
MW379.55 g/mol
LogP3.97
Rot. Bonds4

About (2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine

(2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine (PubChem CID 95047414) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is (2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine.

Molecular Properties

Compound Name(2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine
PubChem CID95047414
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name(2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine
SMILESCOc1cccc(-c2ccc(N3CCC(N4CCN(C)[C@H](C)C4)CC3)cc2)c1
InChIInChI=1S/C24H33N3O/c1-19-18-27(16-15-25(19)2)23-11-13-26(14-12-23)22-9-7-20(8-10-22)21-5-4-6-24(17-21)28-3/h4-10,17,19,23H,11-16,18H2,1-3H3/t19-/m1/s1
InChIKeyHJBAFFNSMJKJHZ-LJQANCHMSA-N
XLogP3.97
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
CID 168512705
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
(1S,5R)-7-[1-(3-methoxyphenyl)piperidin-4-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 166620621
2-[4-[1-(3-methoxyphenyl)piperidin-4-yl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45206216
N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine
CID 29183775
1-[4-(3-methoxyphenyl)phenyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine
CID 31224686
1-[1-[3-(3-methoxyphenyl)phenyl]piperidin-4-yl]-N-methylpiperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 154887732
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
[4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616349
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
(2R)-4-cyclobutyl-1,2-dimethylpiperazine
CID 145118927
(3S,8aS)-2-[(3-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 92604019

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine?
The IUPAC name of (2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine (CID 95047414) is (2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine.
What is the SMILES notation for (2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine?
The canonical SMILES for (2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine is COc1cccc(-c2ccc(N3CCC(N4CCN(C)[C@H](C)C4)CC3)cc2)c1.
What is the InChIKey of (2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine?
The InChIKey is HJBAFFNSMJKJHZ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H33N3O/c1-19-18-27(16-15-25(19)2)23-11-13-26(14-12-23)22-9-7-20(8-10-22)21-5-4-6-24(17-21)28-3/h4-10,17,19,23H,11-16,18H2,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine?
(2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine has a molecular weight of 379.55 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[1-[4-(3-methoxyphenyl)phenyl]piperidin-4-yl]-1,2-dimethylpiperazine is sourced from PubChem (CID 95047414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).