1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine

C20H25ClN2O — CID 113232473

IUPAC1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
SMILESCCOc1ccc(Cl)cc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25ClN2O/c1-2-24-20-9-8-17(21)14-19(20)22-18-10-12-23(13-11-18)15-16-6-4-3-5-7-16/h3-9,14,18,22H,2,10-13,15H2,1H3
InChIKeyIVXLXJMBLZKNFY-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.82
Rot. Bonds6

About 1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine

1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine (PubChem CID 113232473) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
PubChem CID113232473
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
SMILESCCOc1ccc(Cl)cc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25ClN2O/c1-2-24-20-9-8-17(21)14-19(20)22-18-10-12-23(13-11-18)15-16-6-4-3-5-7-16/h3-9,14,18,22H,2,10-13,15H2,1H3
InChIKeyIVXLXJMBLZKNFY-UHFFFAOYSA-N
XLogP4.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)cycloheptanamine
CID 55191401
2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine
CID 22922520
N-(5-chloro-2-ethoxyphenyl)oxan-4-amine
CID 54865465
1-benzyl-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159086
N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine
CID 65072787
N-[1-[(4-bromo-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7-chloroquinolin-4-amine
CID 67197279
N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364394
5-chloro-N-cyclohexyl-2-propoxyaniline
CID 63453197
3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile
CID 21015031
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]isoquinolin-1-amine
CID 67401024
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 113400801

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine?
The IUPAC name of 1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine (CID 113232473) is 1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine is CCOc1ccc(Cl)cc1NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine?
The InChIKey is IVXLXJMBLZKNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-2-24-20-9-8-17(21)14-19(20)22-18-10-12-23(13-11-18)15-16-6-4-3-5-7-16/h3-9,14,18,22H,2,10-13,15H2,1H3.
What are the key properties of 1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine?
1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine has a molecular weight of 344.89 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 113232473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).