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

C14H22ClN3O — CID 52943973

IUPAC3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride
SMILESCl.c1ncc(N2CCCC2)cc1OC[C@@H]1CCCN1
InChIInChI=1S/C14H21N3O.ClH/c1-2-7-17(6-1)13-8-14(10-15-9-13)18-11-12-4-3-5-16-12;/h8-10,12,16H,1-7,11H2;1H/t12-;/m0./s1
InChIKeyIANMNIVNKLKDLV-YDALLXLXSA-N
MW283.80 g/mol
LogP2.23
Rot. Bonds4

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

3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride (PubChem CID 52943973) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride
PubChem CID52943973
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride
SMILESCl.c1ncc(N2CCCC2)cc1OC[C@@H]1CCCN1
InChIInChI=1S/C14H21N3O.ClH/c1-2-7-17(6-1)13-8-14(10-15-9-13)18-11-12-4-3-5-16-12;/h8-10,12,16H,1-7,11H2;1H/t12-;/m0./s1
InChIKeyIANMNIVNKLKDLV-YDALLXLXSA-N
XLogP2.23
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pozanicline
CID 178052
Pyridine, 5-amino-2,3'-oxydi-
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A-85380
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CID 22053540
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(1R,4R)-2-(6-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane
CID 9837143
(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

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride?
The IUPAC name of 3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride (CID 52943973) is 3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride.
What is the SMILES notation for 3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride?
The canonical SMILES for 3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride is Cl.c1ncc(N2CCCC2)cc1OC[C@@H]1CCCN1.
What is the InChIKey of 3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride?
The InChIKey is IANMNIVNKLKDLV-YDALLXLXSA-N. The full InChI is InChI=1S/C14H21N3O.ClH/c1-2-7-17(6-1)13-8-14(10-15-9-13)18-11-12-4-3-5-16-12;/h8-10,12,16H,1-7,11H2;1H/t12-;/m0./s1.
What are the key properties of 3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride?
3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride is sourced from PubChem (CID 52943973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).