3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine

C20H23N5 — CID 110113146

IUPAC3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
SMILESNc1nccnc1CC1CCCN(Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C20H23N5/c21-20-19(23-8-9-24-20)12-15-3-2-10-25(13-15)14-16-5-6-18-17(11-16)4-1-7-22-18/h1,4-9,11,15H,2-3,10,12-14H2,(H2,21,24)
InChIKeyCHMTWRQHXXNPEJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.06
Rot. Bonds4

About 3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine

3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine (PubChem CID 110113146) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
PubChem CID110113146
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
SMILESNc1nccnc1CC1CCCN(Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C20H23N5/c21-20-19(23-8-9-24-20)12-15-3-2-10-25(13-15)14-16-5-6-18-17(11-16)4-1-7-22-18/h1,4-9,11,15H,2-3,10,12-14H2,(H2,21,24)
InChIKeyCHMTWRQHXXNPEJ-UHFFFAOYSA-N
XLogP3.06
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(1H-indol-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113201
[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62062726
3-[[1-(pyrimidin-5-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113118
2-[4-[[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 125019773
3-[4-(quinolin-6-ylmethyl)morpholin-2-yl]pyrazin-2-amine
CID 110112796
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 125024022
6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 124568885
3-[[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 124963052
3-[[1-[(5-chloro-2-pyridinyl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113122
(4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone
CID 42198031
(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124966699

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine?
The IUPAC name of 3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine (CID 110113146) is 3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine is Nc1nccnc1CC1CCCN(Cc2ccc3ncccc3c2)C1.
What is the InChIKey of 3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine?
The InChIKey is CHMTWRQHXXNPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c21-20-19(23-8-9-24-20)12-15-3-2-10-25(13-15)14-16-5-6-18-17(11-16)4-1-7-22-18/h1,4-9,11,15H,2-3,10,12-14H2,(H2,21,24).
What are the key properties of 3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine?
3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine has a molecular weight of 333.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 110113146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).