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

C18H29ClN2 — CID 63129786

IUPAC1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
SMILESCCCC1(CN(C)C(C)c2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C18H29ClN2/c1-4-9-18(10-12-20-13-11-18)14-21(3)15(2)16-5-7-17(19)8-6-16/h5-8,15,20H,4,9-14H2,1-3H3
InChIKeyJCVRPBDYZUPYRU-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.50
Rot. Bonds6

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

1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine (PubChem CID 63129786) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
PubChem CID63129786
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
SMILESCCCC1(CN(C)C(C)c2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C18H29ClN2/c1-4-9-18(10-12-20-13-11-18)14-21(3)15(2)16-5-7-17(19)8-6-16/h5-8,15,20H,4,9-14H2,1-3H3
InChIKeyJCVRPBDYZUPYRU-UHFFFAOYSA-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

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Related Compounds

1-(3-chlorophenyl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
CID 63142719
2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile
CID 65493424
1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine
CID 104595035
1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine
CID 81170816
1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine
CID 62985578
1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62984001
N-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine
CID 112661069
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81357228
N,2,4-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
CID 63532345
N,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
CID 55178372
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915495

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine (CID 63129786) is 1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine is CCCC1(CN(C)C(C)c2ccc(Cl)cc2)CCNCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is JCVRPBDYZUPYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-4-9-18(10-12-20-13-11-18)14-21(3)15(2)16-5-7-17(19)8-6-16/h5-8,15,20H,4,9-14H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine?
1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]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 1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 63129786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).