1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine

C17H27ClN2 — CID 106622440

IUPAC1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCC(c1cccc(Cl)c1)N(CC)CC1CCCCN1
InChIInChI=1S/C17H27ClN2/c1-3-17(14-8-7-9-15(18)12-14)20(4-2)13-16-10-5-6-11-19-16/h7-9,12,16-17,19H,3-6,10-11,13H2,1-2H3
InChIKeyXFCVXLPGAQUWFN-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.26
Rot. Bonds6

About 1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine

1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine (PubChem CID 106622440) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine
PubChem CID106622440
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCC(c1cccc(Cl)c1)N(CC)CC1CCCCN1
InChIInChI=1S/C17H27ClN2/c1-3-17(14-8-7-9-15(18)12-14)20(4-2)13-16-10-5-6-11-19-16/h7-9,12,16-17,19H,3-6,10-11,13H2,1-2H3
InChIKeyXFCVXLPGAQUWFN-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598999
N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603520
N-ethyl-N-(piperidin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 106622507
N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622443
1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604524
1-(3-chlorophenyl)-2-piperidin-2-ylethanol
CID 79559914
1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
CID 106623207
2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609550
2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine
CID 105485071
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine (CID 106622440) is 1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine is CCC(c1cccc(Cl)c1)N(CC)CC1CCCCN1.
What is the InChIKey of 1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine?
The InChIKey is XFCVXLPGAQUWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-3-17(14-8-7-9-15(18)12-14)20(4-2)13-16-10-5-6-11-19-16/h7-9,12,16-17,19H,3-6,10-11,13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine?
1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine has a molecular weight of 294.87 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106622440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).