N-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine

C14H20Cl2N2 — CID 61037688

IUPACN-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine
SMILESClc1cc(Cl)cc(CNCCN2CCCCC2)c1
InChIInChI=1S/C14H20Cl2N2/c15-13-8-12(9-14(16)10-13)11-17-4-7-18-5-2-1-3-6-18/h8-10,17H,1-7,11H2
InChIKeyVJHPMFIIBNHNAZ-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.57
Rot. Bonds5

About N-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine

N-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine (PubChem CID 61037688) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine
PubChem CID61037688
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine
SMILESClc1cc(Cl)cc(CNCCN2CCCCC2)c1
InChIInChI=1S/C14H20Cl2N2/c15-13-8-12(9-14(16)10-13)11-17-4-7-18-5-2-1-3-6-18/h8-10,17H,1-7,11H2
InChIKeyVJHPMFIIBNHNAZ-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.57
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-[(3,5-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 54860881
N-[(3,5-dichlorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 54920179
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 60684360
N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 112705216
N-[(3,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 5039009
N-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 113362652
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
N-[(3-bromo-5-nitrophenyl)methyl]-2-piperidin-1-ylethanamine
CID 103350701
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657714
2-pyrrolidin-1-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66409144
N-[(2,5-dichlorothiophen-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 107961532
2,6-ditert-butyl-4-[(2-pyrrolidin-1-ylethylamino)methyl]phenol
CID 3294488

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine (CID 61037688) is N-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine is Clc1cc(Cl)cc(CNCCN2CCCCC2)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine?
The InChIKey is VJHPMFIIBNHNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c15-13-8-12(9-14(16)10-13)11-17-4-7-18-5-2-1-3-6-18/h8-10,17H,1-7,11H2.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine?
N-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine has a molecular weight of 287.23 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 61037688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).