N-[(3-chloro-4-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

C15H22ClN3 — CID 106640251

IUPACN-[(3-chloro-4-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESClc1cnccc1CN(CC1CCCNC1)C1CC1
InChIInChI=1S/C15H22ClN3/c16-15-9-18-7-5-13(15)11-19(14-3-4-14)10-12-2-1-6-17-8-12/h5,7,9,12,14,17H,1-4,6,8,10-11H2
InChIKeyWHMMKJMEZNYVHD-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.70
Rot. Bonds5

About N-[(3-chloro-4-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

N-[(3-chloro-4-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (PubChem CID 106640251) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
PubChem CID106640251
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC NameN-[(3-chloro-4-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESClc1cnccc1CN(CC1CCCNC1)C1CC1
InChIInChI=1S/C15H22ClN3/c16-15-9-18-7-5-13(15)11-19(14-3-4-14)10-12-2-1-6-17-8-12/h5,7,9,12,14,17H,1-4,6,8,10-11H2
InChIKeyWHMMKJMEZNYVHD-UHFFFAOYSA-N
XLogP2.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106865765
N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639662
N-[(4-chlorophenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
CID 119930119
N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707
N-[(2-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624762
2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-4-fluorophenol
CID 107699302
4-bromo-2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107739211
N-[(3-chloro-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625030
N-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-3-ylmethanamine
CID 106623637
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639732
3-chloro-N-methyl-N-piperidin-3-ylpyridin-4-amine
CID 79841702
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624936

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(3-chloro-4-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (CID 106640251) is N-[(3-chloro-4-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(3-chloro-4-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(3-chloro-4-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is Clc1cnccc1CN(CC1CCCNC1)C1CC1.
What is the InChIKey of N-[(3-chloro-4-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The InChIKey is WHMMKJMEZNYVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c16-15-9-18-7-5-13(15)11-19(14-3-4-14)10-12-2-1-6-17-8-12/h5,7,9,12,14,17H,1-4,6,8,10-11H2.
What are the key properties of N-[(3-chloro-4-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
N-[(3-chloro-4-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine has a molecular weight of 279.81 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106640251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).