1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine

C14H21ClN2 — CID 116951653

IUPAC1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine
SMILESCNC(CC1CCCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2/c1-16-14(10-13-4-2-3-9-17-13)11-5-7-12(15)8-6-11/h5-8,13-14,16-17H,2-4,9-10H2,1H3
InChIKeyIOVQNEMMOYSDJH-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.13
Rot. Bonds4

About 1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine

1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine (PubChem CID 116951653) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine
PubChem CID116951653
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine
SMILESCNC(CC1CCCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2/c1-16-14(10-13-4-2-3-9-17-13)11-5-7-12(15)8-6-11/h5-8,13-14,16-17H,2-4,9-10H2,1H3
InChIKeyIOVQNEMMOYSDJH-UHFFFAOYSA-N
XLogP3.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 116951649
1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine
CID 116951656
N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine
CID 116951487
N-methyl-1-pyridin-4-yl-2-pyrrolidin-2-ylethanamine
CID 116951509
1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
CID 81356229
2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol
CID 114239649
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81352833
1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
CID 116951467
N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine
CID 116951508
N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 106633350
1-(4-chlorophenyl)-2-fluoro-N-methylethanamine
CID 83817763

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine (CID 116951653) is 1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine is CNC(CC1CCCCN1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine?
The InChIKey is IOVQNEMMOYSDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-16-14(10-13-4-2-3-9-17-13)11-5-7-12(15)8-6-11/h5-8,13-14,16-17H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine?
1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine has a molecular weight of 252.79 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine is sourced from PubChem (CID 116951653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).