4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine

C13H17Cl2N — CID 63387553

IUPAC4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
SMILESClCC1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C13H17Cl2N/c14-9-11-4-6-16(7-5-11)10-12-2-1-3-13(15)8-12/h1-3,8,11H,4-7,9-10H2
InChIKeyMYUUHGTVUWLCPH-UHFFFAOYSA-N
MW258.19 g/mol
LogP3.79
Rot. Bonds3

About 4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine

4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine (PubChem CID 63387553) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
PubChem CID63387553
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
SMILESClCC1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C13H17Cl2N/c14-9-11-4-6-16(7-5-11)10-12-2-1-3-13(15)8-12/h1-3,8,11H,4-7,9-10H2
InChIKeyMYUUHGTVUWLCPH-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 53.79
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-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
1-[(3-bromophenyl)methyl]-4-(chloromethyl)piperidine
CID 63387610
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 106838072
3-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropanoic acid
CID 83983457
1-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)piperidine
CID 107887383
4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine
CID 63387554
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900654
1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 62538948
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine?
The IUPAC name of 4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine (CID 63387553) is 4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine.
What is the SMILES notation for 4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine?
The canonical SMILES for 4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine is ClCC1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine?
The InChIKey is MYUUHGTVUWLCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c14-9-11-4-6-16(7-5-11)10-12-2-1-3-13(15)8-12/h1-3,8,11H,4-7,9-10H2.
What are the key properties of 4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine?
4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine has a molecular weight of 258.19 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine is sourced from PubChem (CID 63387553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).