[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride

C21H28ClN3O2 — CID 119517512

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride
SMILESCOc1ccc(Nc2ccccc2C(=O)N2CCC(C(C)N)CC2)cc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-15(22)16-11-13-24(14-12-16)21(25)19-5-3-4-6-20(19)23-17-7-9-18(26-2)10-8-17;/h3-10,15-16,23H,11-14,22H2,1-2H3;1H
InChIKeyKUKXBAZRZPXSDY-UHFFFAOYSA-N
MW389.93 g/mol
LogP4.06
Rot. Bonds5

About [4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride

[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride (PubChem CID 119517512) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride
PubChem CID119517512
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride
SMILESCOc1ccc(Nc2ccccc2C(=O)N2CCC(C(C)N)CC2)cc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-15(22)16-11-13-24(14-12-16)21(25)19-5-3-4-6-20(19)23-17-7-9-18(26-2)10-8-17;/h3-10,15-16,23H,11-14,22H2,1-2H3;1H
InChIKeyKUKXBAZRZPXSDY-UHFFFAOYSA-N
XLogP4.06
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid
CID 124688795
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(4-methoxyanilino)phenyl]methanone
CID 119635753
N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride
CID 119520283
(4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride
CID 119373495
(4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone
CID 46472653
[4-(1-aminoethyl)piperidin-1-yl]-(2-iodo-4-methoxyphenyl)methanone;hydrochloride
CID 119517181
methyl 1-[2-[4-(difluoromethoxy)anilino]benzoyl]piperidine-4-carboxylate
CID 60605734
2-(4-methoxyanilino)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 55718269
1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 52612933
N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 119516967
(2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644674
propan-2-yl 2-(4-methoxyanilino)benzoate
CID 54153670

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride (CID 119517512) is [4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride is COc1ccc(Nc2ccccc2C(=O)N2CCC(C(C)N)CC2)cc1.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride?
The InChIKey is KUKXBAZRZPXSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.ClH/c1-15(22)16-11-13-24(14-12-16)21(25)19-5-3-4-6-20(19)23-17-7-9-18(26-2)10-8-17;/h3-10,15-16,23H,11-14,22H2,1-2H3;1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119517512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).