(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone

C16H21FN2O — CID 59084329

IUPAC(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C16H21FN2O/c17-14-5-3-12(4-6-14)10-13-2-1-9-19(11-13)15(20)16(18)7-8-16/h3-6,13H,1-2,7-11,18H2/t13-/m0/s1
InChIKeyOYTLZVHCYGYMTP-ZDUSSCGKSA-N
MW276.35 g/mol
LogP2.10
Rot. Bonds3

About (1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone

(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone (PubChem CID 59084329) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
PubChem CID59084329
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C16H21FN2O/c17-14-5-3-12(4-6-14)10-13-2-1-9-19(11-13)15(20)16(18)7-8-16/h3-6,13H,1-2,7-11,18H2/t13-/m0/s1
InChIKeyOYTLZVHCYGYMTP-ZDUSSCGKSA-N
XLogP2.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclobutyl)-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 171712189
[(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59102662
(1-aminocyclopropyl)-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95552859
(1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 171709660
2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid
CID 65466458
[(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 97325169
1-[2-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120691973
(1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 95556760
2-[4-[[1-(1-aminocyclopentanecarbonyl)pyrrolidin-3-yl]methyl]phenyl]-1-morpholin-4-ylethanone;hydrochloride
CID 171712317
2-amino-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]ethanone
CID 166226482
2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124977722
2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride
CID 154892363

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone (CID 59084329) is (1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone is NC1(C(=O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is OYTLZVHCYGYMTP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-14-5-3-12(4-6-14)10-13-2-1-9-19(11-13)15(20)16(18)7-8-16/h3-6,13H,1-2,7-11,18H2/t13-/m0/s1.
What are the key properties of (1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 276.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 59084329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).