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

C16H25Cl2N3 — CID 106632038

IUPACN-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCc1cc(Cl)c(CN(CC2CCCCN2)C(C)C)c(Cl)n1
InChIInChI=1S/C16H25Cl2N3/c1-11(2)21(9-13-6-4-5-7-19-13)10-14-15(17)8-12(3)20-16(14)18/h8,11,13,19H,4-7,9-10H2,1-3H3
InChIKeyPUTTWLSBIGKHBH-UHFFFAOYSA-N
MW330.30 g/mol
LogP4.05
Rot. Bonds5

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

N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine (PubChem CID 106632038) has the molecular formula C16H25Cl2N3 and a molecular weight of 330.30 g/mol. Its IUPAC name is N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
PubChem CID106632038
Molecular FormulaC16H25Cl2N3
Molecular Weight330.30 g/mol
Exact Mass329.14
IUPAC NameN-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCc1cc(Cl)c(CN(CC2CCCCN2)C(C)C)c(Cl)n1
InChIInChI=1S/C16H25Cl2N3/c1-11(2)21(9-13-6-4-5-7-19-13)10-14-15(17)8-12(3)20-16(14)18/h8,11,13,19H,4-7,9-10H2,1-3H3
InChIKeyPUTTWLSBIGKHBH-UHFFFAOYSA-N
XLogP4.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 54.05
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-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-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632234
N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614617
N-(3-methyl-1,2-oxazol-5-yl)-2-[piperidin-2-ylmethyl(propan-2-yl)amino]acetamide
CID 106632002
N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621945
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622204
2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164147
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622205
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632130
N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631924
2-chloro-N,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71641823

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine (CID 106632038) is N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine is Cc1cc(Cl)c(CN(CC2CCCCN2)C(C)C)c(Cl)n1.
What is the InChIKey of N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The InChIKey is PUTTWLSBIGKHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N3/c1-11(2)21(9-13-6-4-5-7-19-13)10-14-15(17)8-12(3)20-16(14)18/h8,11,13,19H,4-7,9-10H2,1-3H3.
What are the key properties of N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine has a molecular weight of 330.30 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106632038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).