4-[(4-chloro-3-pyridinyl)methyl]morpholine

C10H13ClN2O — CID 66998174

IUPAC4-[(4-chloro-3-pyridinyl)methyl]morpholine
SMILESClc1ccncc1CN1CCOCC1
InChIInChI=1S/C10H13ClN2O/c11-10-1-2-12-7-9(10)8-13-3-5-14-6-4-13/h1-2,7H,3-6,8H2
InChIKeyZCXSHQSILTXYER-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.57
Rot. Bonds2

About 4-[(4-chloro-3-pyridinyl)methyl]morpholine

4-[(4-chloro-3-pyridinyl)methyl]morpholine (PubChem CID 66998174) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-[(4-chloro-3-pyridinyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-chloro-3-pyridinyl)methyl]morpholine
PubChem CID66998174
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name4-[(4-chloro-3-pyridinyl)methyl]morpholine
SMILESClc1ccncc1CN1CCOCC1
InChIInChI=1S/C10H13ClN2O/c11-10-1-2-12-7-9(10)8-13-3-5-14-6-4-13/h1-2,7H,3-6,8H2
InChIKeyZCXSHQSILTXYER-UHFFFAOYSA-N
XLogP1.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 131912751
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
8-[(3-chloro-4-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 71683220
(E)-3-(4-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568380
4-(pyrimidin-5-ylmethyl)morpholine
CID 130750424
4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine
CID 59543863
(1S,9R)-12-[(4-chloro-3-pyridinyl)methyl]-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 118761249
4-[(2-bromo-3-pyridinyl)methyl]morpholine
CID 23438103
4-[(4-chloro-2-pyridinyl)methyl]morpholine
CID 22025268
4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine
CID 3043329
6-[(4-chloro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913723
4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine
CID 142566582

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-pyridinyl)methyl]morpholine?
The IUPAC name of 4-[(4-chloro-3-pyridinyl)methyl]morpholine (CID 66998174) is 4-[(4-chloro-3-pyridinyl)methyl]morpholine.
What is the SMILES notation for 4-[(4-chloro-3-pyridinyl)methyl]morpholine?
The canonical SMILES for 4-[(4-chloro-3-pyridinyl)methyl]morpholine is Clc1ccncc1CN1CCOCC1.
What is the InChIKey of 4-[(4-chloro-3-pyridinyl)methyl]morpholine?
The InChIKey is ZCXSHQSILTXYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-10-1-2-12-7-9(10)8-13-3-5-14-6-4-13/h1-2,7H,3-6,8H2.
What are the key properties of 4-[(4-chloro-3-pyridinyl)methyl]morpholine?
4-[(4-chloro-3-pyridinyl)methyl]morpholine has a molecular weight of 212.68 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-pyridinyl)methyl]morpholine is sourced from PubChem (CID 66998174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).