1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine

C18H29ClN2 — CID 63454919

IUPAC1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
SMILESCCCC(NCCN1CCC(C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H29ClN2/c1-3-4-18(16-5-7-17(19)8-6-16)20-11-14-21-12-9-15(2)10-13-21/h5-8,15,18,20H,3-4,9-14H2,1-2H3
InChIKeyCIEJDJBMLHAUGO-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.50
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine

1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine (PubChem CID 63454919) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
PubChem CID63454919
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
SMILESCCCC(NCCN1CCC(C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H29ClN2/c1-3-4-18(16-5-7-17(19)8-6-16)20-11-14-21-12-9-15(2)10-13-21/h5-8,15,18,20H,3-4,9-14H2,1-2H3
InChIKeyCIEJDJBMLHAUGO-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine
CID 61241035
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine
CID 63454308
N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
CID 43104102
1-(4-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]butan-1-amine
CID 60857570
1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine
CID 63450134
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 63624687
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 43195497
1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 63456110
1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine
CID 92967695
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
CID 102966955
1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 62628581

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine (CID 63454919) is 1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine is CCCC(NCCN1CCC(C)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine?
The InChIKey is CIEJDJBMLHAUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-3-4-18(16-5-7-17(19)8-6-16)20-11-14-21-12-9-15(2)10-13-21/h5-8,15,18,20H,3-4,9-14H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine?
1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine has a molecular weight of 308.90 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine is sourced from PubChem (CID 63454919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).