3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine

C16H20ClN5 — CID 110113122

IUPAC3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
SMILESNc1nccnc1CC1CCCN(Cc2ccc(Cl)cn2)C1
InChIInChI=1S/C16H20ClN5/c17-13-3-4-14(21-9-13)11-22-7-1-2-12(10-22)8-15-16(18)20-6-5-19-15/h3-6,9,12H,1-2,7-8,10-11H2,(H2,18,20)
InChIKeyWUPRNKXYLFAAAM-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.56
Rot. Bonds4

About 3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine

3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine (PubChem CID 110113122) has the molecular formula C16H20ClN5 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
PubChem CID110113122
Molecular FormulaC16H20ClN5
Molecular Weight317.82 g/mol
Exact Mass317.14
IUPAC Name3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
SMILESNc1nccnc1CC1CCCN(Cc2ccc(Cl)cn2)C1
InChIInChI=1S/C16H20ClN5/c17-13-3-4-14(21-9-13)11-22-7-1-2-12(10-22)8-15-16(18)20-6-5-19-15/h3-6,9,12H,1-2,7-8,10-11H2,(H2,18,20)
InChIKeyWUPRNKXYLFAAAM-UHFFFAOYSA-N
XLogP2.56
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(pyrimidin-5-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113118
3-[[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 124963052
2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 125019773
3-[[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 125025118
3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113146
3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113201
1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine
CID 175660028
3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 125024022
3-[[(3S)-1-(1H-indol-4-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 129490933
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895
2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]oxy-3-fluoropyridine
CID 136537499
[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124988875

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine?
The IUPAC name of 3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine (CID 110113122) is 3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine is Nc1nccnc1CC1CCCN(Cc2ccc(Cl)cn2)C1.
What is the InChIKey of 3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine?
The InChIKey is WUPRNKXYLFAAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5/c17-13-3-4-14(21-9-13)11-22-7-1-2-12(10-22)8-15-16(18)20-6-5-19-15/h3-6,9,12H,1-2,7-8,10-11H2,(H2,18,20).
What are the key properties of 3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine?
3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine has a molecular weight of 317.82 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 110113122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).