[4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone

C20H23FN2O2 — CID 125154336

IUPAC[4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
SMILESNCc1ccc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H23FN2O2/c21-18-7-5-15(6-8-18)19(24)16-9-11-23(12-10-16)20(25)17-3-1-14(13-22)2-4-17/h1-8,16,19,24H,9-13,22H2/t19-/m1/s1
InChIKeyZHQBDFFIUZEYLM-LJQANCHMSA-N
MW342.41 g/mol
LogP2.87
Rot. Bonds4

About [4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone

[4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone (PubChem CID 125154336) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
PubChem CID125154336
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name[4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
SMILESNCc1ccc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H23FN2O2/c21-18-7-5-15(6-8-18)19(24)16-9-11-23(12-10-16)20(25)17-3-1-14(13-22)2-4-17/h1-8,16,19,24H,9-13,22H2/t19-/m1/s1
InChIKeyZHQBDFFIUZEYLM-LJQANCHMSA-N
XLogP2.87
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
(4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 99805654
(2-chloro-4-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 56803648
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
2-ethyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 111434247
(5-fluoro-2-hydroxyphenyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111664774
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294484
[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 111109390
(Z)-3-cyclopropyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]but-2-en-1-one
CID 111109413
(4,5-dimethylthiophen-2-yl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111109363
3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 111109373
(2,5-dimethylphenyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111109349

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone (CID 125154336) is [4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone is NCc1ccc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
The InChIKey is ZHQBDFFIUZEYLM-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-18-7-5-15(6-8-18)19(24)16-9-11-23(12-10-16)20(25)17-3-1-14(13-22)2-4-17/h1-8,16,19,24H,9-13,22H2/t19-/m1/s1.
What are the key properties of [4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
[4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone has a molecular weight of 342.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 125154336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).