6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine

C14H21ClN4O — CID 133305195

IUPAC6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine
SMILESClc1cncc(NC2CCN(CC3CCOC3)CC2)n1
InChIInChI=1S/C14H21ClN4O/c15-13-7-16-8-14(18-13)17-12-1-4-19(5-2-12)9-11-3-6-20-10-11/h7-8,11-12H,1-6,9-10H2,(H,17,18)
InChIKeySNKWKBWEAUCRCX-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.04
Rot. Bonds4

About 6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine

6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine (PubChem CID 133305195) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine
PubChem CID133305195
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine
SMILESClc1cncc(NC2CCN(CC3CCOC3)CC2)n1
InChIInChI=1S/C14H21ClN4O/c15-13-7-16-8-14(18-13)17-12-1-4-19(5-2-12)9-11-3-6-20-10-11/h7-8,11-12H,1-6,9-10H2,(H,17,18)
InChIKeySNKWKBWEAUCRCX-UHFFFAOYSA-N
XLogP2.04
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[1-(cyclopentylmethyl)piperidin-4-yl]pyrazin-2-amine
CID 47470211
5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine
CID 133305273
4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine
CID 124886630
6-N-(cyclopropylmethyl)-4-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 124735336
6-chloro-N-cyclobutylpyrazin-2-amine
CID 62415214
N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133305299
4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 171358976
N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine
CID 125135997
[5-chloro-6-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133305166
3-(3,5-dichlorophenyl)-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133305149
2-[4-[(6-chloropyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide
CID 60567800
3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine
CID 133305164

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine (CID 133305195) is 6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine is Clc1cncc(NC2CCN(CC3CCOC3)CC2)n1.
What is the InChIKey of 6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine?
The InChIKey is SNKWKBWEAUCRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c15-13-7-16-8-14(18-13)17-12-1-4-19(5-2-12)9-11-3-6-20-10-11/h7-8,11-12H,1-6,9-10H2,(H,17,18).
What are the key properties of 6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine?
6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine has a molecular weight of 296.80 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine is sourced from PubChem (CID 133305195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).