1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride

C18H24Cl2N4 — CID 120850111

IUPAC1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride
SMILESCN(CC1CCCNC1)C(c1ccc(Cl)cc1)c1cnccn1.Cl
InChIInChI=1S/C18H23ClN4.ClH/c1-23(13-14-3-2-8-20-11-14)18(17-12-21-9-10-22-17)15-4-6-16(19)7-5-15;/h4-7,9-10,12,14,18,20H,2-3,8,11,13H2,1H3;1H
InChIKeyYUDMMJXYMAJDOY-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.57
Rot. Bonds5

About 1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride

1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride (PubChem CID 120850111) has the molecular formula C18H24Cl2N4 and a molecular weight of 367.32 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride
PubChem CID120850111
Molecular FormulaC18H24Cl2N4
Molecular Weight367.32 g/mol
Exact Mass366.14
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride
SMILESCN(CC1CCCNC1)C(c1ccc(Cl)cc1)c1cnccn1.Cl
InChIInChI=1S/C18H23ClN4.ClH/c1-23(13-14-3-2-8-20-11-14)18(17-12-21-9-10-22-17)15-4-6-16(19)7-5-15;/h4-7,9-10,12,14,18,20H,2-3,8,11,13H2,1H3;1H
InChIKeyYUDMMJXYMAJDOY-UHFFFAOYSA-N
XLogP3.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(piperidin-3-ylmethyl)pyrazin-2-amine;hydrochloride
CID 71642141
1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 120847721
N-methyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 71637592
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71642119
N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazin-2-amine
CID 106643250
1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119930141
2-[(1R)-1-[2-[(3R)-piperidin-3-yl]ethoxy]ethyl]pyrazine
CID 97162546
N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazine-2-carboxamide
CID 97164409
N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide
CID 71642090
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 71642202
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 120753056
N-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-3-ylmethanamine
CID 106623637

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride (CID 120850111) is 1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride is CN(CC1CCCNC1)C(c1ccc(Cl)cc1)c1cnccn1.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride?
The InChIKey is YUDMMJXYMAJDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4.ClH/c1-23(13-14-3-2-8-20-11-14)18(17-12-21-9-10-22-17)15-4-6-16(19)7-5-15;/h4-7,9-10,12,14,18,20H,2-3,8,11,13H2,1H3;1H.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride?
1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride has a molecular weight of 367.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 120850111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).