4-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]morpholine;hydrochloride

C14H22ClN3O2 — CID 52942730

IUPAC4-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]morpholine;hydrochloride
SMILESCl.c1ncc(N2CCOCC2)cc1OC[C@@H]1CCCN1
InChIInChI=1S/C14H21N3O2.ClH/c1-2-12(16-3-1)11-19-14-8-13(9-15-10-14)17-4-6-18-7-5-17;/h8-10,12,16H,1-7,11H2;1H/t12-;/m0./s1
InChIKeyNZEPETANRKGSQU-YDALLXLXSA-N
MW299.80 g/mol
LogP1.47
Rot. Bonds4

About 4-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]morpholine;hydrochloride

4-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]morpholine;hydrochloride (PubChem CID 52942730) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]morpholine;hydrochloride
PubChem CID52942730
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name4-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]morpholine;hydrochloride
SMILESCl.c1ncc(N2CCOCC2)cc1OC[C@@H]1CCCN1
InChIInChI=1S/C14H21N3O2.ClH/c1-2-12(16-3-1)11-19-14-8-13(9-15-10-14)17-4-6-18-7-5-17;/h8-10,12,16H,1-7,11H2;1H/t12-;/m0./s1
InChIKeyNZEPETANRKGSQU-YDALLXLXSA-N
XLogP1.47
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]morpholine;hydrochloride?
The IUPAC name of 4-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]morpholine;hydrochloride (CID 52942730) is 4-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]morpholine;hydrochloride?
The canonical SMILES for 4-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]morpholine;hydrochloride is Cl.c1ncc(N2CCOCC2)cc1OC[C@@H]1CCCN1.
What is the InChIKey of 4-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]morpholine;hydrochloride?
The InChIKey is NZEPETANRKGSQU-YDALLXLXSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-2-12(16-3-1)11-19-14-8-13(9-15-10-14)17-4-6-18-7-5-17;/h8-10,12,16H,1-7,11H2;1H/t12-;/m0./s1.
What are the key properties of 4-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]morpholine;hydrochloride?
4-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]morpholine;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]morpholine;hydrochloride is sourced from PubChem (CID 52942730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).