1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride

C15H24Cl2N2 — CID 119930141

IUPAC1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
SMILESCC(c1cccc(Cl)c1)N(C)CC1CCCNC1.Cl
InChIInChI=1S/C15H23ClN2.ClH/c1-12(14-6-3-7-15(16)9-14)18(2)11-13-5-4-8-17-10-13;/h3,6-7,9,12-13,17H,4-5,8,10-11H2,1-2H3;1H
InChIKeyYCJICYUMTGLXBO-UHFFFAOYSA-N
MW303.28 g/mol
LogP3.75
Rot. Bonds4

About 1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride

1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride (PubChem CID 119930141) has the molecular formula C15H24Cl2N2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
PubChem CID119930141
Molecular FormulaC15H24Cl2N2
Molecular Weight303.28 g/mol
Exact Mass302.13
IUPAC Name1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
SMILESCC(c1cccc(Cl)c1)N(C)CC1CCCNC1.Cl
InChIInChI=1S/C15H23ClN2.ClH/c1-12(14-6-3-7-15(16)9-14)18(2)11-13-5-4-8-17-10-13;/h3,6-7,9,12-13,17H,4-5,8,10-11H2,1-2H3;1H
InChIKeyYCJICYUMTGLXBO-UHFFFAOYSA-N
XLogP3.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 120847721
1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 112736627
N-methyl-1-phenyl-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 23292007
2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 104870411
1-(3-chlorophenyl)-N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine
CID 79384551
3-[1-(3-chlorophenyl)ethyl]piperidine
CID 83910984
N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106624697
N-methyl-2-phenyl-N-(piperidin-3-ylmethyl)propan-1-amine;hydrochloride
CID 119931376
N-methyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 71637592
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 106623736
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624124

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride (CID 119930141) is 1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride is CC(c1cccc(Cl)c1)N(C)CC1CCCNC1.Cl.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride?
The InChIKey is YCJICYUMTGLXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2.ClH/c1-12(14-6-3-7-15(16)9-14)18(2)11-13-5-4-8-17-10-13;/h3,6-7,9,12-13,17H,4-5,8,10-11H2,1-2H3;1H.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride?
1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride has a molecular weight of 303.28 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 119930141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).