N-chloro-1-[1-chloro-4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine

C13H17Cl3N2 — CID 89111935

IUPACN-chloro-1-[1-chloro-4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine
SMILESCN(Cl)CC1(c2ccc(Cl)cc2)CCN(Cl)CC1
InChIInChI=1S/C13H17Cl3N2/c1-17(15)10-13(6-8-18(16)9-7-13)11-2-4-12(14)5-3-11/h2-5H,6-10H2,1H3
InChIKeyGOTGKAHRHZTHDH-UHFFFAOYSA-N
MW307.65 g/mol
LogP3.91
Rot. Bonds3

About N-chloro-1-[1-chloro-4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine

N-chloro-1-[1-chloro-4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine (PubChem CID 89111935) has the molecular formula C13H17Cl3N2 and a molecular weight of 307.65 g/mol. Its IUPAC name is N-chloro-1-[1-chloro-4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound NameN-chloro-1-[1-chloro-4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine
PubChem CID89111935
Molecular FormulaC13H17Cl3N2
Molecular Weight307.65 g/mol
Exact Mass306.05
IUPAC NameN-chloro-1-[1-chloro-4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine
SMILESCN(Cl)CC1(c2ccc(Cl)cc2)CCN(Cl)CC1
InChIInChI=1S/C13H17Cl3N2/c1-17(15)10-13(6-8-18(16)9-7-13)11-2-4-12(14)5-3-11/h2-5H,6-10H2,1H3
InChIKeyGOTGKAHRHZTHDH-UHFFFAOYSA-N
XLogP3.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.65
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-1-[1-chloro-4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of N-chloro-1-[1-chloro-4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine (CID 89111935) is N-chloro-1-[1-chloro-4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for N-chloro-1-[1-chloro-4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for N-chloro-1-[1-chloro-4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine is CN(Cl)CC1(c2ccc(Cl)cc2)CCN(Cl)CC1.
What is the InChIKey of N-chloro-1-[1-chloro-4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine?
The InChIKey is GOTGKAHRHZTHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl3N2/c1-17(15)10-13(6-8-18(16)9-7-13)11-2-4-12(14)5-3-11/h2-5H,6-10H2,1H3.
What are the key properties of N-chloro-1-[1-chloro-4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine?
N-chloro-1-[1-chloro-4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine has a molecular weight of 307.65 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-[1-chloro-4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 89111935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).