N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine

C15H24ClN3 — CID 106637770

IUPACN-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cccnc1Cl)CC1CCCNC1
InChIInChI=1S/C15H24ClN3/c1-12(2)19(10-13-5-3-7-17-9-13)11-14-6-4-8-18-15(14)16/h4,6,8,12-13,17H,3,5,7,9-11H2,1-2H3
InChIKeyVNSWZDYJADAKCL-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.94
Rot. Bonds5

About N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine

N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine (PubChem CID 106637770) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
PubChem CID106637770
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC NameN-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cccnc1Cl)CC1CCCNC1
InChIInChI=1S/C15H24ClN3/c1-12(2)19(10-13-5-3-7-17-9-13)11-14-6-4-8-18-15(14)16/h4,6,8,12-13,17H,3,5,7,9-11H2,1-2H3
InChIKeyVNSWZDYJADAKCL-UHFFFAOYSA-N
XLogP2.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.94
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-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637313
2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106623984
N-methyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 71637592
N-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623970
N-[(2-bromo-5-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637553
N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637432
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
3-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106643160
N-[(5-chloroquinolin-8-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623813
N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 106637462
N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642131
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637480

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine (CID 106637770) is N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine is CC(C)N(Cc1cccnc1Cl)CC1CCCNC1.
What is the InChIKey of N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The InChIKey is VNSWZDYJADAKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-12(2)19(10-13-5-3-7-17-9-13)11-14-6-4-8-18-15(14)16/h4,6,8,12-13,17H,3,5,7,9-11H2,1-2H3.
What are the key properties of N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine has a molecular weight of 281.83 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 106637770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).