4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine

C19H30N2O2 — CID 77091167

IUPAC4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine
SMILESCC1CCCN(CCOc2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C19H30N2O2/c1-17-3-2-8-20(15-17)11-14-23-19-6-4-18(5-7-19)16-21-9-12-22-13-10-21/h4-7,17H,2-3,8-16H2,1H3
InChIKeyPAJWZQMQUDFUJX-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.63
Rot. Bonds6

About 4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine

4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine (PubChem CID 77091167) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine
PubChem CID77091167
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine
SMILESCC1CCCN(CCOc2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C19H30N2O2/c1-17-3-2-8-20(15-17)11-14-23-19-6-4-18(5-7-19)16-21-9-12-22-13-10-21/h4-7,17H,2-3,8-16H2,1H3
InChIKeyPAJWZQMQUDFUJX-UHFFFAOYSA-N
XLogP2.63
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296
4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline
CID 40788770
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
2,2,2-trichloro-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]acetamide
CID 133179595
(1S,5R)-7-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155918308
1-[(4-ethoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine
CID 806803
4-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclohexan-1-amine
CID 143322433
4-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]benzaldehyde
CID 7379881
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
4-[2-(4-hydroxyphenyl)-3-methyl-1-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]indol-5-yl]phenol
CID 174448619
1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7067763
4-[3-(3-methylpiperidin-1-yl)propoxy]benzaldehyde;hydrochloride
CID 2994240

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine (CID 77091167) is 4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine is CC1CCCN(CCOc2ccc(CN3CCOCC3)cc2)C1.
What is the InChIKey of 4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine?
The InChIKey is PAJWZQMQUDFUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-17-3-2-8-20(15-17)11-14-23-19-6-4-18(5-7-19)16-21-9-12-22-13-10-21/h4-7,17H,2-3,8-16H2,1H3.
What are the key properties of 4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine?
4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine has a molecular weight of 318.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]morpholine is sourced from PubChem (CID 77091167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).