N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine

C15H23Cl2N3 — CID 106632234

IUPACN-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cnc(Cl)cc1Cl)CC1CCCCN1
InChIInChI=1S/C15H23Cl2N3/c1-11(2)20(10-13-5-3-4-6-18-13)9-12-8-19-15(17)7-14(12)16/h7-8,11,13,18H,3-6,9-10H2,1-2H3
InChIKeyKHVVQXYENNFFCK-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.74
Rot. Bonds5

About N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine

N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine (PubChem CID 106632234) has the molecular formula C15H23Cl2N3 and a molecular weight of 316.28 g/mol. Its IUPAC name is N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
PubChem CID106632234
Molecular FormulaC15H23Cl2N3
Molecular Weight316.28 g/mol
Exact Mass315.13
IUPAC NameN-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cnc(Cl)cc1Cl)CC1CCCCN1
InChIInChI=1S/C15H23Cl2N3/c1-11(2)20(10-13-5-3-4-6-18-13)9-12-8-19-15(17)7-14(12)16/h7-8,11,13,18H,3-6,9-10H2,1-2H3
InChIKeyKHVVQXYENNFFCK-UHFFFAOYSA-N
XLogP3.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615575
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632134
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184
N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614617
N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632038
N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621945
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622205
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622204
N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 106632071
N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631924
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631918
N-[2-(4-chlorophenoxy)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632189

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine (CID 106632234) is N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine is CC(C)N(Cc1cnc(Cl)cc1Cl)CC1CCCCN1.
What is the InChIKey of N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The InChIKey is KHVVQXYENNFFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3/c1-11(2)20(10-13-5-3-4-6-18-13)9-12-8-19-15(17)7-14(12)16/h7-8,11,13,18H,3-6,9-10H2,1-2H3.
What are the key properties of N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine has a molecular weight of 316.28 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106632234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).