1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine

C17H26Cl2N2 — CID 114515230

IUPAC1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
SMILESCCC(NCCC1CCN(C)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H26Cl2N2/c1-3-17(15-5-4-14(18)12-16(15)19)20-9-6-13-7-10-21(2)11-8-13/h4-5,12-13,17,20H,3,6-11H2,1-2H3
InChIKeySJBFMWZDBJIDKU-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.77
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine

1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine (PubChem CID 114515230) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
PubChem CID114515230
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC Name1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
SMILESCCC(NCCC1CCN(C)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H26Cl2N2/c1-3-17(15-5-4-14(18)12-16(15)19)20-9-6-13-7-10-21(2)11-8-13/h4-5,12-13,17,20H,3,6-11H2,1-2H3
InChIKeySJBFMWZDBJIDKU-UHFFFAOYSA-N
XLogP4.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
CID 63454562
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol
CID 114448733
1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 63454306
1-(2,4-dichlorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61209100
N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
CID 43590907
1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine
CID 54932273
1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63827650
N-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine
CID 81342935
3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
CID 43503285
N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine
CID 83006822
2,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzenesulfonamide
CID 50875284

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine (CID 114515230) is 1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine is CCC(NCCC1CCN(C)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine?
The InChIKey is SJBFMWZDBJIDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-3-17(15-5-4-14(18)12-16(15)19)20-9-6-13-7-10-21(2)11-8-13/h4-5,12-13,17,20H,3,6-11H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine?
1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine has a molecular weight of 329.31 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114515230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).