1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine

C14H20ClN — CID 62123401

IUPAC1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine
SMILESCC1CCCN(c2ccc(CCl)cc2)C1C
InChIInChI=1S/C14H20ClN/c1-11-4-3-9-16(12(11)2)14-7-5-13(10-15)6-8-14/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyNAKZHVBPNJYSTJ-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.05
Rot. Bonds2

About 1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine

1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine (PubChem CID 62123401) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine.

Molecular Properties

Compound Name1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine
PubChem CID62123401
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine
SMILESCC1CCCN(c2ccc(CCl)cc2)C1C
InChIInChI=1S/C14H20ClN/c1-11-4-3-9-16(12(11)2)14-7-5-13(10-15)6-8-14/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyNAKZHVBPNJYSTJ-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Ethyl-N-benzylaniline
CID 7098
N,N-diethyl-p-toluidine
CID 69177
Benzenamine, N,N-bis(2-chloroethyl)-3-methyl-
CID 95113
p-Toluidine, N,N-bis(2-chloroethyl)-
CID 100400
4-[(2-Methylpiperidin-1-yl)methyl]aniline
CID 3159023
Benzenemethanaminium, N,N-dimethyl-N-phenyl-, chloride (1:1)
CID 76668
Methyl(((4-(piperidin-1-yl)phenyl)methyl))amine
CID 7060582
4-[(4-Methylpiperidin-1-yl)methyl]aniline
CID 1084995
N,N-dimethyl-4-[(4-methyl-1-piperidinyl)carbonothioyl]aniline
CID 2210475
4-(2-Ethyl-piperidin-1-ylmethyl)-phenylamine
CID 3158971
Bamipine hydrochloride
CID 121417
4-ethenyl-N,N-diethylaniline
CID 6429430

Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine?
The IUPAC name of 1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine (CID 62123401) is 1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine.
What is the SMILES notation for 1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine?
The canonical SMILES for 1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine is CC1CCCN(c2ccc(CCl)cc2)C1C.
What is the InChIKey of 1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine?
The InChIKey is NAKZHVBPNJYSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-11-4-3-9-16(12(11)2)14-7-5-13(10-15)6-8-14/h5-8,11-12H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine?
1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine has a molecular weight of 237.77 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine is sourced from PubChem (CID 62123401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).