[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone

C25H25FN2O — CID 92767649

IUPAC[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C25H25FN2O/c1-19-6-5-9-22(18-19)25(29)28-16-14-27(15-17-28)24(20-7-3-2-4-8-20)21-10-12-23(26)13-11-21/h2-13,18,24H,14-17H2,1H3/t24-/m1/s1
InChIKeyISAKFDKEBKHDKZ-XMMPIXPASA-N
MW388.49 g/mol
LogP4.68
Rot. Bonds4

About [4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone

[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone (PubChem CID 92767649) has the molecular formula C25H25FN2O and a molecular weight of 388.49 g/mol. Its IUPAC name is [4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone
PubChem CID92767649
Molecular FormulaC25H25FN2O
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC Name[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C25H25FN2O/c1-19-6-5-9-22(18-19)25(29)28-16-14-27(15-17-28)24(20-7-3-2-4-8-20)21-10-12-23(26)13-11-21/h2-13,18,24H,14-17H2,1H3/t24-/m1/s1
InChIKeyISAKFDKEBKHDKZ-XMMPIXPASA-N
XLogP4.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 92769109
(3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100477
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92767617
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917
(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone
CID 9337064
[4-[(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46100068
[4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 92767686
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
(2-fluorophenyl)-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100028
4-[bis(4-fluorophenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 17171393
(4-benzhydrylpiperazin-1-yl)-[3-(dimethylamino)-5-methylphenyl]methanone
CID 166114755
[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110365418

Frequently Asked Questions

What is the IUPAC name of [4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone (CID 92767649) is [4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of [4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is ISAKFDKEBKHDKZ-XMMPIXPASA-N. The full InChI is InChI=1S/C25H25FN2O/c1-19-6-5-9-22(18-19)25(29)28-16-14-27(15-17-28)24(20-7-3-2-4-8-20)21-10-12-23(26)13-11-21/h2-13,18,24H,14-17H2,1H3/t24-/m1/s1.
What are the key properties of [4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone?
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 388.49 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 92767649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).