(4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride

C17H20Cl3N3O2 — CID 119374896

IUPAC(4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride
SMILESCl.Cl.NC1CCN(C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)CC1
InChIInChI=1S/C17H18ClN3O2.2ClH/c18-15-11-12(17(22)21-9-5-13(19)6-10-21)1-2-16(15)23-14-3-7-20-8-4-14;;/h1-4,7-8,11,13H,5-6,9-10,19H2;2*1H
InChIKeyNONWJLHJFVALHM-UHFFFAOYSA-N
MW404.73 g/mol
LogP3.93
Rot. Bonds3

About (4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride

(4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride (PubChem CID 119374896) has the molecular formula C17H20Cl3N3O2 and a molecular weight of 404.73 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride
PubChem CID119374896
Molecular FormulaC17H20Cl3N3O2
Molecular Weight404.73 g/mol
Exact Mass403.06
IUPAC Name(4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride
SMILESCl.Cl.NC1CCN(C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)CC1
InChIInChI=1S/C17H18ClN3O2.2ClH/c18-15-11-12(17(22)21-9-5-13(19)6-10-21)1-2-16(15)23-14-3-7-20-8-4-14;;/h1-4,7-8,11,13H,5-6,9-10,19H2;2*1H
InChIKeyNONWJLHJFVALHM-UHFFFAOYSA-N
XLogP3.93
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.73
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-pyridin-4-yloxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540458
(3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 111332849
(3-chloro-4-pyridin-4-yloxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023340
1-(3-chloro-4-pyridin-4-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 126769558
(4-aminopiperidin-1-yl)-(4-chloro-3-iodophenyl)methanone;hydrochloride
CID 119376696
1-(3-chloro-4-pyridin-4-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122113159
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119621638
(4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride
CID 119374818
(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66482030
4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
CID 178200611
cyclohex-2-en-1-yl 3-chloro-4-pyridin-4-yloxybenzoate
CID 166335052

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride (CID 119374896) is (4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride is Cl.Cl.NC1CCN(C(=O)c2ccc(Oc3ccncc3)c(Cl)c2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride?
The InChIKey is NONWJLHJFVALHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2.2ClH/c18-15-11-12(17(22)21-9-5-13(19)6-10-21)1-2-16(15)23-14-3-7-20-8-4-14;;/h1-4,7-8,11,13H,5-6,9-10,19H2;2*1H.
What are the key properties of (4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride?
(4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride has a molecular weight of 404.73 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride is sourced from PubChem (CID 119374896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).