[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone

C16H21FN2O — CID 81483492

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H21FN2O/c17-14-5-3-13(4-6-14)16(20)19-9-7-15(8-10-19)18-11-12-1-2-12/h3-6,12,15,18H,1-2,7-11H2
InChIKeyYUYXUUAVUXCMCT-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.43
Rot. Bonds4

About [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone

[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 81483492) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID81483492
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H21FN2O/c17-14-5-3-13(4-6-14)16(20)19-9-7-15(8-10-19)18-11-12-1-2-12/h3-6,12,15,18H,1-2,7-11H2
InChIKeyYUYXUUAVUXCMCT-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119621694
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 119624921
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115307142
(2-bromo-4-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81486307
[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone
CID 119621700
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119621638
5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyran-2-one
CID 115307125
(2-bromo-5-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119625303
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 119622987
N-[[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 119622496
(3-chloro-4-iodophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 103807433

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone (CID 81483492) is [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is YUYXUUAVUXCMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-14-5-3-13(4-6-14)16(20)19-9-7-15(8-10-19)18-11-12-1-2-12/h3-6,12,15,18H,1-2,7-11H2.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone?
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 276.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 81483492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).