3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine

C14H21Cl2N3 — CID 63236339

IUPAC3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
SMILESCN1CCC(CN(C)c2ncc(CCl)cc2Cl)CC1
InChIInChI=1S/C14H21Cl2N3/c1-18-5-3-11(4-6-18)10-19(2)14-13(16)7-12(8-15)9-17-14/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyCOAHOLXNASQERG-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.25
Rot. Bonds4

About 3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine

3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine (PubChem CID 63236339) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
PubChem CID63236339
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC Name3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
SMILESCN1CCC(CN(C)c2ncc(CCl)cc2Cl)CC1
InChIInChI=1S/C14H21Cl2N3/c1-18-5-3-11(4-6-18)10-19(2)14-13(16)7-12(8-15)9-17-14/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyCOAHOLXNASQERG-UHFFFAOYSA-N
XLogP3.25
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine (CID 63236339) is 3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine is CN1CCC(CN(C)c2ncc(CCl)cc2Cl)CC1.
What is the InChIKey of 3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
The InChIKey is COAHOLXNASQERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3/c1-18-5-3-11(4-6-18)10-19(2)14-13(16)7-12(8-15)9-17-14/h7,9,11H,3-6,8,10H2,1-2H3.
What are the key properties of 3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine?
3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine has a molecular weight of 302.25 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 63236339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).