[1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone

C19H27FN2O — CID 119398088

IUPAC[1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1
InChIInChI=1S/C19H27FN2O/c1-21-13-15-5-4-12-22(14-15)18(23)19(10-2-3-11-19)16-6-8-17(20)9-7-16/h6-9,15,21H,2-5,10-14H2,1H3
InChIKeyUPNZFDDQGOKCOK-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.10
Rot. Bonds4

About [1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone

[1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119398088) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119398088
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Name[1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1
InChIInChI=1S/C19H27FN2O/c1-21-13-15-5-4-12-22(14-15)18(23)19(10-2-3-11-19)16-6-8-17(20)9-7-16/h6-9,15,21H,2-5,10-14H2,1H3
InChIKeyUPNZFDDQGOKCOK-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chlorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396144
[1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546090
[(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 97325169
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 119541574
[4-(3-fluorophenyl)oxan-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396200
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
N-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide
CID 49352658
[3-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone
CID 119395809
(E)-3-(4-fluorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]but-2-en-1-one
CID 132969898
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125134753
N-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 56812467
3-(4-fluorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]but-2-en-1-one;hydrochloride
CID 126778619

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 119398088) is [1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)C2(c3ccc(F)cc3)CCCC2)C1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is UPNZFDDQGOKCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O/c1-21-13-15-5-4-12-22(14-15)18(23)19(10-2-3-11-19)16-6-8-17(20)9-7-16/h6-9,15,21H,2-5,10-14H2,1H3.
What are the key properties of [1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
[1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 318.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119398088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).