N-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine

C15H24ClN3 — CID 106636023

IUPACN-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cc(Cl)ccn1)CC1CCCCN1
InChIInChI=1S/C15H24ClN3/c1-2-9-19(11-14-5-3-4-7-17-14)12-15-10-13(16)6-8-18-15/h6,8,10,14,17H,2-5,7,9,11-12H2,1H3
InChIKeyPJGNADMGAJNWKH-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.09
Rot. Bonds6

About N-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine

N-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine (PubChem CID 106636023) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
PubChem CID106636023
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC NameN-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cc(Cl)ccn1)CC1CCCCN1
InChIInChI=1S/C15H24ClN3/c1-2-9-19(11-14-5-3-4-7-17-14)12-15-10-13(16)6-8-18-15/h6,8,10,14,17H,2-5,7,9,11-12H2,1H3
InChIKeyPJGNADMGAJNWKH-UHFFFAOYSA-N
XLogP3.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603805
N-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599857
N-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 106623603
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623577
N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635999
N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 106635856
N-[(3-bromo-4-chlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603964
6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 106635842
4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol
CID 106623196
4-bromo-2-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 107739200
N-[(4-methyl-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603786
5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642347

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine (CID 106636023) is N-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine is CCCN(Cc1cc(Cl)ccn1)CC1CCCCN1.
What is the InChIKey of N-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
The InChIKey is PJGNADMGAJNWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-2-9-19(11-14-5-3-4-7-17-14)12-15-10-13(16)6-8-18-15/h6,8,10,14,17H,2-5,7,9,11-12H2,1H3.
What are the key properties of N-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine?
N-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106636023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).