[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone

C16H21FN2O2 — CID 115307142

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(F)ccc1O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H21FN2O2/c17-12-3-4-15(20)14(9-12)16(21)19-7-5-13(6-8-19)18-10-11-1-2-11/h3-4,9,11,13,18,20H,1-2,5-8,10H2
InChIKeyOYXOLLNRGZGZBD-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.14
Rot. Bonds4

About [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone

[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone (PubChem CID 115307142) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
PubChem CID115307142
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(F)ccc1O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H21FN2O2/c17-12-3-4-15(20)14(9-12)16(21)19-7-5-13(6-8-19)18-10-11-1-2-11/h3-4,9,11,13,18,20H,1-2,5-8,10H2
InChIKeyOYXOLLNRGZGZBD-UHFFFAOYSA-N
XLogP2.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119625303
(2-bromo-4-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81486307
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 81483492
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
(5-chloro-2-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624175
3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 115298494
(2-chloro-5-hydroxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 106502684
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 81487303
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 119622033
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
[3-(2-chloroethyl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 114801111
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone (CID 115307142) is [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone is O=C(c1cc(F)ccc1O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is OYXOLLNRGZGZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-12-3-4-15(20)14(9-12)16(21)19-7-5-13(6-8-19)18-10-11-1-2-11/h3-4,9,11,13,18,20H,1-2,5-8,10H2.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 292.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 115307142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).