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

C14H21ClN2 — CID 60684360

IUPACN-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine
SMILESClc1ccc(CNCCN2CCCCC2)cc1
InChIInChI=1S/C14H21ClN2/c15-14-6-4-13(5-7-14)12-16-8-11-17-9-2-1-3-10-17/h4-7,16H,1-3,8-12H2
InChIKeyOMVSWPVSFLKKJB-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.92
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine (PubChem CID 60684360) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine
PubChem CID60684360
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine
SMILESClc1ccc(CNCCN2CCCCC2)cc1
InChIInChI=1S/C14H21ClN2/c15-14-6-4-13(5-7-14)12-16-8-11-17-9-2-1-3-10-17/h4-7,16H,1-3,8-12H2
InChIKeyOMVSWPVSFLKKJB-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657714
N-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 61037688
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
N-[(3,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 5039009
2-pyrrolidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43767984
4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile
CID 60697219
N-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 113362652
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
4-[(2-pyrrolidin-1-ylethylamino)methyl]benzoic acid
CID 55097521
2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 10269848
3-(4-methylpiperazin-1-yl)-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899289
5-[[2-(azepan-1-yl)ethylamino]methyl]-2-fluorobenzonitrile
CID 107936212

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine (CID 60684360) is N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine is Clc1ccc(CNCCN2CCCCC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine?
The InChIKey is OMVSWPVSFLKKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c15-14-6-4-13(5-7-14)12-16-8-11-17-9-2-1-3-10-17/h4-7,16H,1-3,8-12H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine?
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine has a molecular weight of 252.79 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 60684360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).