[4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride

C21H27ClN2O3 — CID 119662357

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C21H26N2O3.ClH/c22-13-6-16-25-17-11-14-23(15-12-17)21(24)19-9-4-5-10-20(19)26-18-7-2-1-3-8-18;/h1-5,7-10,17H,6,11-16,22H2;1H
InChIKeyQVEYNGQXJNBTLU-UHFFFAOYSA-N
MW390.91 g/mol
LogP3.87
Rot. Bonds7

About [4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride

[4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride (PubChem CID 119662357) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride
PubChem CID119662357
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C21H26N2O3.ClH/c22-13-6-16-25-17-11-14-23(15-12-17)21(24)19-9-4-5-10-20(19)26-18-7-2-1-3-8-18;/h1-5,7-10,17H,6,11-16,22H2;1H
InChIKeyQVEYNGQXJNBTLU-UHFFFAOYSA-N
XLogP3.87
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-[2-(2-ethoxyphenoxy)phenyl]methanone;hydrochloride
CID 119663930
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 119662118
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846
[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenoxy-2-pyridinyl)methanone;dihydrochloride
CID 119663527
phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79736999
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119662804
[4-(3-aminopropoxy)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone
CID 119663751
[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107098277
[4-(3-aminopropoxy)piperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86778691
1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone
CID 119663605
[4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride
CID 119664484
[4-(3-aminopropoxy)piperidin-1-yl]-(5-cyclopropyl-1-phenylpyrazol-4-yl)methanone
CID 119663795

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride (CID 119662357) is [4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride is Cl.NCCCOC1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride?
The InChIKey is QVEYNGQXJNBTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3.ClH/c22-13-6-16-25-17-11-14-23(15-12-17)21(24)19-9-4-5-10-20(19)26-18-7-2-1-3-8-18;/h1-5,7-10,17H,6,11-16,22H2;1H.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride?
[4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride has a molecular weight of 390.91 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119662357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).