4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one

C16H22Cl2N2O2 — CID 75513595

IUPAC4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H22Cl2N2O2/c17-14-4-3-12(10-15(14)18)11-22-13-5-8-20(9-6-13)16(21)2-1-7-19/h3-4,10,13H,1-2,5-9,11,19H2
InChIKeyBCJGBPHKMMMHSU-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.24
Rot. Bonds6

About 4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one

4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one (PubChem CID 75513595) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one
PubChem CID75513595
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H22Cl2N2O2/c17-14-4-3-12(10-15(14)18)11-22-13-5-8-20(9-6-13)16(21)2-1-7-19/h3-4,10,13H,1-2,5-9,11,19H2
InChIKeyBCJGBPHKMMMHSU-UHFFFAOYSA-N
XLogP3.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120593766
2-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride
CID 119810709
(2S)-2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 119339045
4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid
CID 122022190
4-(4-chlorophenyl)-1-(4-phenylmethoxypiperidin-1-yl)butan-1-one
CID 55773001
2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 119339061
2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one
CID 119810716
2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119339060
4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 110897013
[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120637219
4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119545173
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119661511

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one (CID 75513595) is 4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one is NCCCC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one?
The InChIKey is BCJGBPHKMMMHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c17-14-4-3-12(10-15(14)18)11-22-13-5-8-20(9-6-13)16(21)2-1-7-19/h3-4,10,13H,1-2,5-9,11,19H2.
What are the key properties of 4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one?
4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one has a molecular weight of 345.27 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 75513595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).