[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride

C19H26ClFN2O3 — CID 120934454

IUPAC[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride
SMILESCl.NCC1(C(=O)N2CCCC(C(=O)c3ccc(F)cc3)C2)CCOCC1
InChIInChI=1S/C19H25FN2O3.ClH/c20-16-5-3-14(4-6-16)17(23)15-2-1-9-22(12-15)18(24)19(13-21)7-10-25-11-8-19;/h3-6,15H,1-2,7-13,21H2;1H
InChIKeyVIZAEMZBKVLQNG-UHFFFAOYSA-N
MW384.88 g/mol
LogP2.42
Rot. Bonds4

About [1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride

[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride (PubChem CID 120934454) has the molecular formula C19H26ClFN2O3 and a molecular weight of 384.88 g/mol. Its IUPAC name is [1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride
PubChem CID120934454
Molecular FormulaC19H26ClFN2O3
Molecular Weight384.88 g/mol
Exact Mass384.16
IUPAC Name[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride
SMILESCl.NCC1(C(=O)N2CCCC(C(=O)c3ccc(F)cc3)C2)CCOCC1
InChIInChI=1S/C19H25FN2O3.ClH/c20-16-5-3-14(4-6-16)17(23)15-2-1-9-22(12-15)18(24)19(13-21)7-10-25-11-8-19;/h3-6,15H,1-2,7-13,21H2;1H
InChIKeyVIZAEMZBKVLQNG-UHFFFAOYSA-N
XLogP2.42
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.88
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
CID 115439749
2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone
CID 119332026
(4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone
CID 69455638
[4-(aminomethyl)oxan-4-yl]-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 120930110
[4-(aminomethyl)oxan-4-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 120930210
cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656
(4-fluorophenyl)-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 119798421
[4-(aminomethyl)oxan-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 120928895
1-[4-(aminomethyl)oxane-4-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120924366
[4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride
CID 120925164
(2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one
CID 119332040
1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 154746801

Frequently Asked Questions

What is the IUPAC name of [1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride?
The IUPAC name of [1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride (CID 120934454) is [1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride.
What is the SMILES notation for [1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride?
The canonical SMILES for [1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride is Cl.NCC1(C(=O)N2CCCC(C(=O)c3ccc(F)cc3)C2)CCOCC1.
What is the InChIKey of [1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride?
The InChIKey is VIZAEMZBKVLQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3.ClH/c20-16-5-3-14(4-6-16)17(23)15-2-1-9-22(12-15)18(24)19(13-21)7-10-25-11-8-19;/h3-6,15H,1-2,7-13,21H2;1H.
What are the key properties of [1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride?
[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride has a molecular weight of 384.88 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 120934454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).