N-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine

C11H17ClN4 — CID 97163969

IUPACN-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine
SMILESClc1nccnc1CNC[C@@H]1CCCCN1
InChIInChI=1S/C11H17ClN4/c12-11-10(15-5-6-16-11)8-13-7-9-3-1-2-4-14-9/h5-6,9,13-14H,1-4,7-8H2/t9-/m0/s1
InChIKeyDSMZVMVUHTZYBW-VIFPVBQESA-N
MW240.74 g/mol
LogP1.36
Rot. Bonds4

About N-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine

N-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine (PubChem CID 97163969) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is N-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine
PubChem CID97163969
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC NameN-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine
SMILESClc1nccnc1CNC[C@@H]1CCCCN1
InChIInChI=1S/C11H17ClN4/c12-11-10(15-5-6-16-11)8-13-7-9-3-1-2-4-14-9/h5-6,9,13-14H,1-4,7-8H2/t9-/m0/s1
InChIKeyDSMZVMVUHTZYBW-VIFPVBQESA-N
XLogP1.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxypyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642976
N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71643444
N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731898
N-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 71640791
N-(1,2-oxazol-5-ylmethyl)-1-piperidin-2-ylmethanamine
CID 106415135
N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine
CID 106633706
1-cyclobutyl-N-(piperidin-2-ylmethyl)methanamine
CID 106633110
1-[(2R)-piperidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 97178382
N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine
CID 106634516
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329577
1-piperidin-2-yl-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 106633696
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine?
The IUPAC name of N-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine (CID 97163969) is N-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine.
What is the SMILES notation for N-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine?
The canonical SMILES for N-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine is Clc1nccnc1CNC[C@@H]1CCCCN1.
What is the InChIKey of N-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine?
The InChIKey is DSMZVMVUHTZYBW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17ClN4/c12-11-10(15-5-6-16-11)8-13-7-9-3-1-2-4-14-9/h5-6,9,13-14H,1-4,7-8H2/t9-/m0/s1.
What are the key properties of N-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine?
N-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine has a molecular weight of 240.74 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine is sourced from PubChem (CID 97163969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).