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

C19H28ClFN2O — CID 119546090

IUPAC[1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2(c3ccc(F)cc3)CCCC2)CC1.Cl
InChIInChI=1S/C19H27FN2O.ClH/c1-21-14-15-8-12-22(13-9-15)18(23)19(10-2-3-11-19)16-4-6-17(20)7-5-16;/h4-7,15,21H,2-3,8-14H2,1H3;1H
InChIKeyKSKNPQPHJDKQBO-UHFFFAOYSA-N
MW354.90 g/mol
LogP3.52
Rot. Bonds4

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

[1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119546090) has the molecular formula C19H28ClFN2O and a molecular weight of 354.90 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119546090
Molecular FormulaC19H28ClFN2O
Molecular Weight354.90 g/mol
Exact Mass354.19
IUPAC Name[1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2(c3ccc(F)cc3)CCCC2)CC1.Cl
InChIInChI=1S/C19H27FN2O.ClH/c1-21-14-15-8-12-22(13-9-15)18(23)19(10-2-3-11-19)16-4-6-17(20)7-5-16;/h4-7,15,21H,2-3,8-14H2,1H3;1H
InChIKeyKSKNPQPHJDKQBO-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398088
[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542872
[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542873
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 119541574
[1-(4-chlorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396144
(4-cyclohexyloxypiperidin-1-yl)-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 86873749
[(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 97325169
tert-butyl N-[1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidin-4-yl]carbamate
CID 55972279
[1-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103677994
[4-(3-aminopropoxy)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119664552
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125134753
[4-(3-fluorophenyl)oxan-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396200

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119546090) is [1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CNCC1CCN(C(=O)C2(c3ccc(F)cc3)CCCC2)CC1.Cl.
What is the InChIKey of [1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is KSKNPQPHJDKQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O.ClH/c1-21-14-15-8-12-22(13-9-15)18(23)19(10-2-3-11-19)16-4-6-17(20)7-5-16;/h4-7,15,21H,2-3,8-14H2,1H3;1H.
What are the key properties of [1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
[1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 354.90 g/mol, XLogP of 3.52, 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]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119546090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).