4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine

C13H16Cl3N — CID 63387554

IUPAC4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine
SMILESClCC1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H16Cl3N/c14-8-10-3-5-17(6-4-10)9-11-1-2-12(15)7-13(11)16/h1-2,7,10H,3-6,8-9H2
InChIKeyXIJKIRLFAYRFDM-UHFFFAOYSA-N
MW292.64 g/mol
LogP4.44
Rot. Bonds3

About 4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine

4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine (PubChem CID 63387554) has the molecular formula C13H16Cl3N and a molecular weight of 292.64 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine
PubChem CID63387554
Molecular FormulaC13H16Cl3N
Molecular Weight292.64 g/mol
Exact Mass291.03
IUPAC Name4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine
SMILESClCC1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H16Cl3N/c14-8-10-3-5-17(6-4-10)9-11-1-2-12(15)7-13(11)16/h1-2,7,10H,3-6,8-9H2
InChIKeyXIJKIRLFAYRFDM-UHFFFAOYSA-N
XLogP4.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.64
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922302
1-[(2,4-dichlorophenyl)methyl]azetidine
CID 127007358
4-[(2,4-dichlorophenyl)methyl]thiomorpholine
CID 1377068
1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine
CID 65245032
4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 63387553
3-(bromomethyl)-1-[(2,4-dichlorophenyl)methyl]azetidine
CID 130531229
4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 51108757
1-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)piperidine
CID 107887383
1-[(3-chloro-2-fluorophenyl)methyl]-4-(chloromethyl)piperidine
CID 102859725
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 114858032
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106864116
(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine
CID 144850667

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine?
The IUPAC name of 4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine (CID 63387554) is 4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine.
What is the SMILES notation for 4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine?
The canonical SMILES for 4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine is ClCC1CCN(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine?
The InChIKey is XIJKIRLFAYRFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3N/c14-8-10-3-5-17(6-4-10)9-11-1-2-12(15)7-13(11)16/h1-2,7,10H,3-6,8-9H2.
What are the key properties of 4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine?
4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine has a molecular weight of 292.64 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine is sourced from PubChem (CID 63387554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).