1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine

C14H20Cl2N2 — CID 114846746

IUPAC1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2cc(Cl)ccc2CCl)C1
InChIInChI=1S/C14H20Cl2N2/c1-17(2)13-4-3-7-18(10-13)14-8-12(16)6-5-11(14)9-15/h5-6,8,13H,3-4,7,9-10H2,1-2H3
InChIKeyOIZQFSXXOTZXLH-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.61
Rot. Bonds3

About 1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine

1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 114846746) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine
PubChem CID114846746
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2cc(Cl)ccc2CCl)C1
InChIInChI=1S/C14H20Cl2N2/c1-17(2)13-4-3-7-18(10-13)14-8-12(16)6-5-11(14)9-15/h5-6,8,13H,3-4,7,9-10H2,1-2H3
InChIKeyOIZQFSXXOTZXLH-UHFFFAOYSA-N
XLogP3.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine
CID 114852089
1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851050
1-[2-[(tert-butylamino)methyl]-5-chlorophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851035
1-[5-chloro-2-(chloromethyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 114846658
5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 77109614
4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine
CID 114846280
N-[5-chloro-2-(chloromethyl)phenyl]-N-methylcycloheptanamine
CID 114846425
1-[5-chloro-2-(chloromethyl)phenyl]-2,3-dimethylpiperidine
CID 114846600
(1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 79026265
4-[5-chloro-2-(chloromethyl)phenyl]-2-ethylmorpholine
CID 114846398
1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 86885508
1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine
CID 83184413

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine (CID 114846746) is 1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(c2cc(Cl)ccc2CCl)C1.
What is the InChIKey of 1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is OIZQFSXXOTZXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-17(2)13-4-3-7-18(10-13)14-8-12(16)6-5-11(14)9-15/h5-6,8,13H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine?
1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 287.23 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 114846746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).