1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride

C15H23Cl3N2 — CID 120847721

IUPAC1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
SMILESCC(c1ccc(Cl)c(Cl)c1)N(C)CC1CCCNC1.Cl
InChIInChI=1S/C15H22Cl2N2.ClH/c1-11(13-5-6-14(16)15(17)8-13)19(2)10-12-4-3-7-18-9-12;/h5-6,8,11-12,18H,3-4,7,9-10H2,1-2H3;1H
InChIKeySVIJWKRQNVJFSJ-UHFFFAOYSA-N
MW337.72 g/mol
LogP4.41
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride

1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride (PubChem CID 120847721) has the molecular formula C15H23Cl3N2 and a molecular weight of 337.72 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
PubChem CID120847721
Molecular FormulaC15H23Cl3N2
Molecular Weight337.72 g/mol
Exact Mass336.09
IUPAC Name1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
SMILESCC(c1ccc(Cl)c(Cl)c1)N(C)CC1CCCNC1.Cl
InChIInChI=1S/C15H22Cl2N2.ClH/c1-11(13-5-6-14(16)15(17)8-13)19(2)10-12-4-3-7-18-9-12;/h5-6,8,11-12,18H,3-4,7,9-10H2,1-2H3;1H
InChIKeySVIJWKRQNVJFSJ-UHFFFAOYSA-N
XLogP4.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.72
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119930141
methyl 2-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetate
CID 120848191
1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 112736627
1-(3,4-dichlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106602368
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624124
2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine
CID 134419979
2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 104870411
N-methyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 71637592
1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 120849617
N-methyl-1-phenyl-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 23292007
4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 106623736
1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride
CID 120850111

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride (CID 120847721) is 1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride is CC(c1ccc(Cl)c(Cl)c1)N(C)CC1CCCNC1.Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride?
The InChIKey is SVIJWKRQNVJFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2.ClH/c1-11(13-5-6-14(16)15(17)8-13)19(2)10-12-4-3-7-18-9-12;/h5-6,8,11-12,18H,3-4,7,9-10H2,1-2H3;1H.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride?
1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride has a molecular weight of 337.72 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 120847721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).