4-[1-(3-chloro-4-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine

C14H20ClN3O — CID 122136149

IUPAC4-[1-(3-chloro-4-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine
SMILESCC1CN(c2ccncc2Cl)CC1N1CCOCC1
InChIInChI=1S/C14H20ClN3O/c1-11-9-18(13-2-3-16-8-12(13)15)10-14(11)17-4-6-19-7-5-17/h2-3,8,11,14H,4-7,9-10H2,1H3
InChIKeyZNGIQUBZGCYFTO-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.89
Rot. Bonds2

About 4-[1-(3-chloro-4-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine

4-[1-(3-chloro-4-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine (PubChem CID 122136149) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-[1-(3-chloro-4-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(3-chloro-4-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine
PubChem CID122136149
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name4-[1-(3-chloro-4-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine
SMILESCC1CN(c2ccncc2Cl)CC1N1CCOCC1
InChIInChI=1S/C14H20ClN3O/c1-11-9-18(13-2-3-16-8-12(13)15)10-14(11)17-4-6-19-7-5-17/h2-3,8,11,14H,4-7,9-10H2,1H3
InChIKeyZNGIQUBZGCYFTO-UHFFFAOYSA-N
XLogP1.89
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chloro-4-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-(3-chloro-4-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine (CID 122136149) is 4-[1-(3-chloro-4-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(3-chloro-4-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(3-chloro-4-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine is CC1CN(c2ccncc2Cl)CC1N1CCOCC1.
What is the InChIKey of 4-[1-(3-chloro-4-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine?
The InChIKey is ZNGIQUBZGCYFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-11-9-18(13-2-3-16-8-12(13)15)10-14(11)17-4-6-19-7-5-17/h2-3,8,11,14H,4-7,9-10H2,1H3.
What are the key properties of 4-[1-(3-chloro-4-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine?
4-[1-(3-chloro-4-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine has a molecular weight of 281.79 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chloro-4-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine is sourced from PubChem (CID 122136149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).