N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine

C17H27ClN2 — CID 61019279

IUPACN-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
SMILESCC(CNC(C)c1cccc(Cl)c1)CN1CCCCC1
InChIInChI=1S/C17H27ClN2/c1-14(13-20-9-4-3-5-10-20)12-19-15(2)16-7-6-8-17(18)11-16/h6-8,11,14-15,19H,3-5,9-10,12-13H2,1-2H3
InChIKeyAANPSVZHQAVLNR-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.11
Rot. Bonds6

About N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine

N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine (PubChem CID 61019279) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
PubChem CID61019279
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
SMILESCC(CNC(C)c1cccc(Cl)c1)CN1CCCCC1
InChIInChI=1S/C17H27ClN2/c1-14(13-20-9-4-3-5-10-20)12-19-15(2)16-7-6-8-17(18)11-16/h6-8,11,14-15,19H,3-5,9-10,12-13H2,1-2H3
InChIKeyAANPSVZHQAVLNR-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993891
1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine
CID 43749137
N-[1-(3-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203896
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 104881782
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 54906711
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317
1-[[(1R)-1-(3-methylphenyl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81360774
N-[1-(3-chlorophenyl)ethyl]-2-phenylpropan-1-amine
CID 43080383
methyl 3-(azepan-1-yl)-2-(3-chlorophenyl)propanoate
CID 117243277
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54861037
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62993549
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 82773345

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine (CID 61019279) is N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine is CC(CNC(C)c1cccc(Cl)c1)CN1CCCCC1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine?
The InChIKey is AANPSVZHQAVLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-14(13-20-9-4-3-5-10-20)12-19-15(2)16-7-6-8-17(18)11-16/h6-8,11,14-15,19H,3-5,9-10,12-13H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine?
N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine has a molecular weight of 294.87 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 61019279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).