2-chloro-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine

C14H21ClN4 — CID 62996393

IUPAC2-chloro-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine
SMILESClc1cncc(N2CCC(CN3CCCC3)CC2)n1
InChIInChI=1S/C14H21ClN4/c15-13-9-16-10-14(17-13)19-7-3-12(4-8-19)11-18-5-1-2-6-18/h9-10,12H,1-8,11H2
InChIKeyYVLXOTWQHMZHQC-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.44
Rot. Bonds3

About 2-chloro-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine

2-chloro-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine (PubChem CID 62996393) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-chloro-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine
PubChem CID62996393
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name2-chloro-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine
SMILESClc1cncc(N2CCC(CN3CCCC3)CC2)n1
InChIInChI=1S/C14H21ClN4/c15-13-9-16-10-14(17-13)19-7-3-12(4-8-19)11-18-5-1-2-6-18/h9-10,12H,1-8,11H2
InChIKeyYVLXOTWQHMZHQC-UHFFFAOYSA-N
XLogP2.44
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine
CID 66467109
2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine
CID 59598902
1-(6-chloropyrazin-2-yl)azepan-4-ol
CID 130702579
2-chloro-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine
CID 133279639
(3R)-1-(6-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 86323671
2-[4-(6-chloropyrazin-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 114335407
2-chloro-6-(3-methylpiperidin-1-yl)pyrazine
CID 53409115
1-(6-chloropyrazin-2-yl)-N,N-diethylpyrrolidin-3-amine
CID 55158990
6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-amine
CID 80653539
2-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]oxyacetic acid
CID 114335425
6-chloro-N-[1-(cyclopentylmethyl)piperidin-4-yl]pyrazin-2-amine
CID 47470211
1-(6-chloropyrazin-2-yl)-3-methylpiperidin-4-amine
CID 116650896

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine?
The IUPAC name of 2-chloro-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine (CID 62996393) is 2-chloro-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-chloro-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine?
The canonical SMILES for 2-chloro-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine is Clc1cncc(N2CCC(CN3CCCC3)CC2)n1.
What is the InChIKey of 2-chloro-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine?
The InChIKey is YVLXOTWQHMZHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c15-13-9-16-10-14(17-13)19-7-3-12(4-8-19)11-18-5-1-2-6-18/h9-10,12H,1-8,11H2.
What are the key properties of 2-chloro-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine?
2-chloro-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine has a molecular weight of 280.80 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazine is sourced from PubChem (CID 62996393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).