1-(4-chlorophenyl)-2-piperidin-3-ylethanamine

C13H19ClN2 — CID 116936332

IUPAC1-(4-chlorophenyl)-2-piperidin-3-ylethanamine
SMILESNC(CC1CCCNC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2/c14-12-5-3-11(4-6-12)13(15)8-10-2-1-7-16-9-10/h3-6,10,13,16H,1-2,7-9,15H2
InChIKeyOLCPNRAQUHHYIS-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.73
Rot. Bonds3

About 1-(4-chlorophenyl)-2-piperidin-3-ylethanamine

1-(4-chlorophenyl)-2-piperidin-3-ylethanamine (PubChem CID 116936332) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-piperidin-3-ylethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-piperidin-3-ylethanamine
PubChem CID116936332
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-(4-chlorophenyl)-2-piperidin-3-ylethanamine
SMILESNC(CC1CCCNC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2/c14-12-5-3-11(4-6-12)13(15)8-10-2-1-7-16-9-10/h3-6,10,13,16H,1-2,7-9,15H2
InChIKeyOLCPNRAQUHHYIS-UHFFFAOYSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine
CID 116936082
1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine
CID 116936338
3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine
CID 105485073
2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936414
1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
CID 116936426
2-(3,4-dichlorophenyl)-N-methyl-3-piperidin-3-ylpropan-1-amine
CID 134419979
2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine
CID 116936135
1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906832
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
2-cyclohexyl-1-(4-iodophenyl)ethanamine
CID 115841897
(3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine
CID 116935836
3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine
CID 58992633

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-piperidin-3-ylethanamine?
The IUPAC name of 1-(4-chlorophenyl)-2-piperidin-3-ylethanamine (CID 116936332) is 1-(4-chlorophenyl)-2-piperidin-3-ylethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-piperidin-3-ylethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-piperidin-3-ylethanamine is NC(CC1CCCNC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-piperidin-3-ylethanamine?
The InChIKey is OLCPNRAQUHHYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-12-5-3-11(4-6-12)13(15)8-10-2-1-7-16-9-10/h3-6,10,13,16H,1-2,7-9,15H2.
What are the key properties of 1-(4-chlorophenyl)-2-piperidin-3-ylethanamine?
1-(4-chlorophenyl)-2-piperidin-3-ylethanamine has a molecular weight of 238.76 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-piperidin-3-ylethanamine is sourced from PubChem (CID 116936332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).