N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine

C18H29ClN2 — CID 81349354

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
SMILESCCCN1CCC(C(C)N[C@H](C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H29ClN2/c1-4-11-21-12-9-17(10-13-21)15(3)20-14(2)16-5-7-18(19)8-6-16/h5-8,14-15,17,20H,4,9-13H2,1-3H3/t14-,15?/m1/s1
InChIKeyIIVRCXLCIFTKGW-GICMACPYSA-N
MW308.90 g/mol
LogP4.50
Rot. Bonds6

About N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine

N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine (PubChem CID 81349354) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
PubChem CID81349354
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
SMILESCCCN1CCC(C(C)N[C@H](C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H29ClN2/c1-4-11-21-12-9-17(10-13-21)15(3)20-14(2)16-5-7-18(19)8-6-16/h5-8,14-15,17,20H,4,9-13H2,1-3H3/t14-,15?/m1/s1
InChIKeyIIVRCXLCIFTKGW-GICMACPYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine
CID 81405583
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine
CID 81352705
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 43692479
3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol
CID 43748462
1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43308271
1-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]ethanamine
CID 81349060
N-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 81403845
4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile
CID 43692381
4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43308115
N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 54863063
2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 65467589
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206713

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine (CID 81349354) is N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine is CCCN1CCC(C(C)N[C@H](C)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
The InChIKey is IIVRCXLCIFTKGW-GICMACPYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-4-11-21-12-9-17(10-13-21)15(3)20-14(2)16-5-7-18(19)8-6-16/h5-8,14-15,17,20H,4,9-13H2,1-3H3/t14-,15?/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine has a molecular weight of 308.90 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 81349354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).