1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine

C17H27ClN2 — CID 43749137

IUPAC1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine
SMILESCCC(NC(C)CN1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H27ClN2/c1-3-17(15-8-7-9-16(18)12-15)19-14(2)13-20-10-5-4-6-11-20/h7-9,12,14,17,19H,3-6,10-11,13H2,1-2H3
InChIKeyVKTLQGNLOCNMGN-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.26
Rot. Bonds6

About 1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine

1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine (PubChem CID 43749137) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine
PubChem CID43749137
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine
SMILESCCC(NC(C)CN1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H27ClN2/c1-3-17(15-8-7-9-16(18)12-15)19-14(2)13-20-10-5-4-6-11-20/h7-9,12,14,17,19H,3-6,10-11,13H2,1-2H3
InChIKeyVKTLQGNLOCNMGN-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]piperidin-1-amine
CID 83006471
N-[1-(3-chlorophenyl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 61019279
2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine
CID 103387962
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine
CID 43694879
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
N-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43104352
3-N-[1-(3-chlorophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963660
N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine
CID 43779182
methyl 3-(azepan-1-yl)-2-(3-chlorophenyl)propanoate
CID 117243277
N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine
CID 43110456
N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine
CID 113437828

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine (CID 43749137) is 1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine is CCC(NC(C)CN1CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine?
The InChIKey is VKTLQGNLOCNMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-3-17(15-8-7-9-16(18)12-15)19-14(2)13-20-10-5-4-6-11-20/h7-9,12,14,17,19H,3-6,10-11,13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine?
1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)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-(1-piperidin-1-ylpropan-2-yl)propan-1-amine is sourced from PubChem (CID 43749137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).