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

C16H25ClN2 — CID 43749075

IUPACN-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NC(C)c1ccccc1Cl
InChIInChI=1S/C16H25ClN2/c1-13(12-19-10-6-3-7-11-19)18-14(2)15-8-4-5-9-16(15)17/h4-5,8-9,13-14,18H,3,6-7,10-12H2,1-2H3
InChIKeyTXTAHJLWKLFWDY-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.87
Rot. Bonds5

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

N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 43749075) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID43749075
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NC(C)c1ccccc1Cl
InChIInChI=1S/C16H25ClN2/c1-13(12-19-10-6-3-7-11-19)18-14(2)15-8-4-5-9-16(15)17/h4-5,8-9,13-14,18H,3,6-7,10-12H2,1-2H3
InChIKeyTXTAHJLWKLFWDY-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749115
1-[1-(2-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729320
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 113489915
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894573
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 104866435
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657896
N-[1-(furan-2-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749135
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]propan-1-one
CID 60676820
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 81377394
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749122
N-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine
CID 43081081
3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine
CID 82107556

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine (CID 43749075) is N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine is CC(CN1CCCCC1)NC(C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is TXTAHJLWKLFWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-13(12-19-10-6-3-7-11-19)18-14(2)15-8-4-5-9-16(15)17/h4-5,8-9,13-14,18H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine?
N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine has a molecular weight of 280.84 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 43749075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).