N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride

C12H20Cl2N4 — CID 71642488

IUPACN-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
SMILESCN(Cc1ccnc(Cl)n1)CC1CCNCC1.Cl
InChIInChI=1S/C12H19ClN4.ClH/c1-17(8-10-2-5-14-6-3-10)9-11-4-7-15-12(13)16-11;/h4,7,10,14H,2-3,5-6,8-9H2,1H3;1H
InChIKeyLYQOJUBQTNIPAY-UHFFFAOYSA-N
MW291.23 g/mol
LogP1.98
Rot. Bonds4

About N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride

N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride (PubChem CID 71642488) has the molecular formula C12H20Cl2N4 and a molecular weight of 291.23 g/mol. Its IUPAC name is N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
PubChem CID71642488
Molecular FormulaC12H20Cl2N4
Molecular Weight291.23 g/mol
Exact Mass290.11
IUPAC NameN-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
SMILESCN(Cc1ccnc(Cl)n1)CC1CCNCC1.Cl
InChIInChI=1S/C12H19ClN4.ClH/c1-17(8-10-2-5-14-6-3-10)9-11-4-7-15-12(13)16-11;/h4,7,10,14H,2-3,5-6,8-9H2,1H3;1H
InChIKeyLYQOJUBQTNIPAY-UHFFFAOYSA-N
XLogP1.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 112751145
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642060
(3R)-N-[(2-chloropyrimidin-4-yl)methyl]-N-methylpiperidin-3-amine
CID 71641741
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120851650
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 97164652
N-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 79702191
N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 94408610
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-piperidin-4-ylmethanamine
CID 112651005
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79702363
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120849776
N-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 79255512
N-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 97164670

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride (CID 71642488) is N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride is CN(Cc1ccnc(Cl)n1)CC1CCNCC1.Cl.
What is the InChIKey of N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is LYQOJUBQTNIPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4.ClH/c1-17(8-10-2-5-14-6-3-10)9-11-4-7-15-12(13)16-11;/h4,7,10,14H,2-3,5-6,8-9H2,1H3;1H.
What are the key properties of N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride?
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 291.23 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 71642488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).