2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine

C19H30N2OS — CID 2910746

IUPAC2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine
SMILESCSc1ccc(CN2CCC(N3CC(C)OC(C)C3)CC2)cc1
InChIInChI=1S/C19H30N2OS/c1-15-12-21(13-16(2)22-15)18-8-10-20(11-9-18)14-17-4-6-19(23-3)7-5-17/h4-7,15-16,18H,8-14H2,1-3H3
InChIKeyQYXUAMJTHQYQLW-UHFFFAOYSA-N
MW334.53 g/mol
LogP3.48
Rot. Bonds4

About 2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine

2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine (PubChem CID 2910746) has the molecular formula C19H30N2OS and a molecular weight of 334.53 g/mol. Its IUPAC name is 2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine
PubChem CID2910746
Molecular FormulaC19H30N2OS
Molecular Weight334.53 g/mol
Exact Mass334.21
IUPAC Name2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine
SMILESCSc1ccc(CN2CCC(N3CC(C)OC(C)C3)CC2)cc1
InChIInChI=1S/C19H30N2OS/c1-15-12-21(13-16(2)22-15)18-8-10-20(11-9-18)14-17-4-6-19(23-3)7-5-17/h4-7,15-16,18H,8-14H2,1-3H3
InChIKeyQYXUAMJTHQYQLW-UHFFFAOYSA-N
XLogP3.48
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]morpholine
CID 3589308
ethane;4-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidine
CID 145130487
2,6-dimethyl-4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 46405709
(2R,6R)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 756427
(2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine
CID 756436
1-(1-benzylpiperidin-4-yl)-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 90483967
(2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine
CID 7344375
(2S,6S)-4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 7121801
4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid
CID 17369761
(2R,6R)-2,6-dimethyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]morpholine
CID 6556241
(3S,5R)-1-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperazine
CID 130914689
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine (CID 2910746) is 2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine is CSc1ccc(CN2CCC(N3CC(C)OC(C)C3)CC2)cc1.
What is the InChIKey of 2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine?
The InChIKey is QYXUAMJTHQYQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2OS/c1-15-12-21(13-16(2)22-15)18-8-10-20(11-9-18)14-17-4-6-19(23-3)7-5-17/h4-7,15-16,18H,8-14H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine?
2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine has a molecular weight of 334.53 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine is sourced from PubChem (CID 2910746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).