(4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride

C17H27Cl2N3O — CID 119842939

IUPAC(4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C17H25N3O.2ClH/c18-15-6-4-14(5-7-15)17(21)20-12-8-16(9-13-20)19-10-2-1-3-11-19;;/h4-7,16H,1-3,8-13,18H2;2*1H
InChIKeySDPPPFFYMNOUJZ-UHFFFAOYSA-N
MW360.33 g/mol
LogP3.20
Rot. Bonds2

About (4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride

(4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride (PubChem CID 119842939) has the molecular formula C17H27Cl2N3O and a molecular weight of 360.33 g/mol. Its IUPAC name is (4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
PubChem CID119842939
Molecular FormulaC17H27Cl2N3O
Molecular Weight360.33 g/mol
Exact Mass359.15
IUPAC Name(4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.Nc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C17H25N3O.2ClH/c18-15-6-4-14(5-7-15)17(21)20-12-8-16(9-13-20)19-10-2-1-3-11-19;;/h4-7,16H,1-3,8-13,18H2;2*1H
InChIKeySDPPPFFYMNOUJZ-UHFFFAOYSA-N
XLogP3.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
(4-aminophenyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669539
(4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 158649732
[1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone
CID 70221560
2-(4-aminophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 119842927
(5-amino-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120641373
(5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61140481
(4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 63524427
4-amino-N-(4-piperidin-1-ylcyclohexyl)benzamide
CID 143211763
(4-aminophenyl)-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119787850
(4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 62160832
(6-chloro-3-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61045525

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride?
The IUPAC name of (4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride (CID 119842939) is (4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride is Cl.Cl.Nc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)cc1.
What is the InChIKey of (4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride?
The InChIKey is SDPPPFFYMNOUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.2ClH/c18-15-6-4-14(5-7-15)17(21)20-12-8-16(9-13-20)19-10-2-1-3-11-19;;/h4-7,16H,1-3,8-13,18H2;2*1H.
What are the key properties of (4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride?
(4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride has a molecular weight of 360.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119842939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).