1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine

C13H17Cl2N — CID 22197662

IUPAC1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
SMILESCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H17Cl2N/c1-10-4-6-16(7-5-10)9-11-2-3-12(14)13(15)8-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyOCIHFTYZFXMFFQ-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.23
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine

1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine (PubChem CID 22197662) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
PubChem CID22197662
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
SMILESCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H17Cl2N/c1-10-4-6-16(7-5-10)9-11-2-3-12(14)13(15)8-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyOCIHFTYZFXMFFQ-UHFFFAOYSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine
CID 144996291
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879309
2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol
CID 10637061
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322
2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 82548256
1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 22194716
4-[(3,4-dichlorophenyl)methyl]thiomorpholine
CID 793280
4-methyl-1-(naphthalen-2-ylmethyl)piperidine
CID 15153361
[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 129367742
N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960897

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine (CID 22197662) is 1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine is CC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine?
The InChIKey is OCIHFTYZFXMFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-10-4-6-16(7-5-10)9-11-2-3-12(14)13(15)8-11/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine?
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine has a molecular weight of 258.19 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine is sourced from PubChem (CID 22197662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).