(3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride

C15H21ClN2O2 — CID 119381620

IUPAC(3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride
SMILESC=CCOc1ccccc1C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-2-10-19-14-8-4-3-7-13(14)15(18)17-9-5-6-12(16)11-17;/h2-4,7-8,12H,1,5-6,9-11,16H2;1H
InChIKeyRIVHGNPXFSXMDC-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.24
Rot. Bonds4

About (3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride (PubChem CID 119381620) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride
PubChem CID119381620
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride
SMILESC=CCOc1ccccc1C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-2-10-19-14-8-4-3-7-13(14)15(18)17-9-5-6-12(16)11-17;/h2-4,7-8,12H,1,5-6,9-11,16H2;1H
InChIKeyRIVHGNPXFSXMDC-UHFFFAOYSA-N
XLogP2.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride
CID 166451673
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
CID 43417500
[(1S,5R)-8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl]-(2-prop-2-enoxyphenyl)methanone
CID 90649891
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119403725
(3-aminopiperidin-1-yl)-[2-(3-bromophenoxy)phenyl]methanone;hydrochloride
CID 119380458
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-prop-2-enoxyphenyl)methanone
CID 120658652
2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248384
(4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
CID 126836712
[(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 119411536

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride (CID 119381620) is (3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride is C=CCOc1ccccc1C(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride?
The InChIKey is RIVHGNPXFSXMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c1-2-10-19-14-8-4-3-7-13(14)15(18)17-9-5-6-12(16)11-17;/h2-4,7-8,12H,1,5-6,9-11,16H2;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119381620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).