1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperazine;hydrochloride

C14H23ClN4O — CID 52945135

IUPAC1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperazine;hydrochloride
SMILESCl.c1ncc(N2CCNCC2)cc1OC[C@@H]1CCCN1
InChIInChI=1S/C14H22N4O.ClH/c1-2-12(17-3-1)11-19-14-8-13(9-16-10-14)18-6-4-15-5-7-18;/h8-10,12,15,17H,1-7,11H2;1H/t12-;/m0./s1
InChIKeyRMDUFIUBSRNLAI-YDALLXLXSA-N
MW298.82 g/mol
LogP1.04
Rot. Bonds4

About 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperazine;hydrochloride

1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperazine;hydrochloride (PubChem CID 52945135) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperazine;hydrochloride
PubChem CID52945135
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperazine;hydrochloride
SMILESCl.c1ncc(N2CCNCC2)cc1OC[C@@H]1CCCN1
InChIInChI=1S/C14H22N4O.ClH/c1-2-12(17-3-1)11-19-14-8-13(9-16-10-14)18-6-4-15-5-7-18;/h8-10,12,15,17H,1-7,11H2;1H/t12-;/m0./s1
InChIKeyRMDUFIUBSRNLAI-YDALLXLXSA-N
XLogP1.04
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pozanicline
CID 178052
Pyridine, 5-amino-2,3'-oxydi-
CID 2800156
A-84543
CID 9794141
1-(6-Bromo-5-Ethoxypyridin-3-Yl)-1,4-Diazepane
CID 10402507
1-(5-Ethoxypyridin-3-yl)-1,4-diazepane
CID 22053540
(1R,4R)-2-(6-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane
CID 9837143
(1S,6R)-8-(5-methoxy-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
CID 9855936
(1R,5S)-6-(5-nethoxypyridin-3-yl)-3,6-diazabicyclo[3.2.0]-heptane
CID 9877707
2-(6-Chloro-5-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
CID 9881232
(1R,4R)-2-(5-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane
CID 10219900
2-Chloro-5-((R)-1-pyrrolidin-2-ylmethoxy)-pyridine
CID 10512747
2-Chloro-5-((S)-1-pyrrolidin-2-ylmethoxy)-pyridine
CID 10589238

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperazine;hydrochloride?
The IUPAC name of 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperazine;hydrochloride (CID 52945135) is 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperazine;hydrochloride?
The canonical SMILES for 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperazine;hydrochloride is Cl.c1ncc(N2CCNCC2)cc1OC[C@@H]1CCCN1.
What is the InChIKey of 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperazine;hydrochloride?
The InChIKey is RMDUFIUBSRNLAI-YDALLXLXSA-N. The full InChI is InChI=1S/C14H22N4O.ClH/c1-2-12(17-3-1)11-19-14-8-13(9-16-10-14)18-6-4-15-5-7-18;/h8-10,12,15,17H,1-7,11H2;1H/t12-;/m0./s1.
What are the key properties of 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperazine;hydrochloride?
1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperazine;hydrochloride has a molecular weight of 298.82 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperazine;hydrochloride is sourced from PubChem (CID 52945135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).