(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone

C25H31F2N3O — CID 57279931

IUPAC(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCN2CCN(Cc3ccccc3F)CC2)CC1
InChIInChI=1S/C25H31F2N3O/c26-23-7-5-20(6-8-23)25(31)21-9-11-28(12-10-21)13-14-29-15-17-30(18-16-29)19-22-3-1-2-4-24(22)27/h1-8,21H,9-19H2
InChIKeyRETULXXMQFLNTL-UHFFFAOYSA-N
MW427.54 g/mol
LogP3.68
Rot. Bonds7

About (4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone (PubChem CID 57279931) has the molecular formula C25H31F2N3O and a molecular weight of 427.54 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone
PubChem CID57279931
Molecular FormulaC25H31F2N3O
Molecular Weight427.54 g/mol
Exact Mass427.24
IUPAC Name(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCN2CCN(Cc3ccccc3F)CC2)CC1
InChIInChI=1S/C25H31F2N3O/c26-23-7-5-20(6-8-23)25(31)21-9-11-28(12-10-21)13-14-29-15-17-30(18-16-29)19-22-3-1-2-4-24(22)27/h1-8,21H,9-19H2
InChIKeyRETULXXMQFLNTL-UHFFFAOYSA-N
XLogP3.68
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[1-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]butyl]piperidin-4-yl]methanone
CID 57162230
(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone
CID 11016205
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
(4-chlorophenyl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 60561002
(4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride
CID 14882741
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-[(2-methoxyphenyl)methyl]benzimidazol-2-one
CID 18780670
1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-[(2-methoxyphenyl)methyl]benzimidazol-2-one;hydrochloride
CID 18780669
(4-fluorophenyl)-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]methanone;hydrochloride
CID 13180278
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone (CID 57279931) is (4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(CCN2CCN(Cc3ccccc3F)CC2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone?
The InChIKey is RETULXXMQFLNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N3O/c26-23-7-5-20(6-8-23)25(31)21-9-11-28(12-10-21)13-14-29-15-17-30(18-16-29)19-22-3-1-2-4-24(22)27/h1-8,21H,9-19H2.
What are the key properties of (4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone has a molecular weight of 427.54 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone is sourced from PubChem (CID 57279931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).