4-(1-butylsulfonyl-4-phenylpiperidin-4-yl)morpholine

C19H30N2O3S — CID 110637889

IUPAC4-(1-butylsulfonyl-4-phenylpiperidin-4-yl)morpholine
SMILESCCCCS(=O)(=O)N1CCC(c2ccccc2)(N2CCOCC2)CC1
InChIInChI=1S/C19H30N2O3S/c1-2-3-17-25(22,23)21-11-9-19(10-12-21,18-7-5-4-6-8-18)20-13-15-24-16-14-20/h4-8H,2-3,9-17H2,1H3
InChIKeyBRMLSNMGMMCAAW-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.44
Rot. Bonds6

About 4-(1-butylsulfonyl-4-phenylpiperidin-4-yl)morpholine

4-(1-butylsulfonyl-4-phenylpiperidin-4-yl)morpholine (PubChem CID 110637889) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 4-(1-butylsulfonyl-4-phenylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(1-butylsulfonyl-4-phenylpiperidin-4-yl)morpholine
PubChem CID110637889
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name4-(1-butylsulfonyl-4-phenylpiperidin-4-yl)morpholine
SMILESCCCCS(=O)(=O)N1CCC(c2ccccc2)(N2CCOCC2)CC1
InChIInChI=1S/C19H30N2O3S/c1-2-3-17-25(22,23)21-11-9-19(10-12-21,18-7-5-4-6-8-18)20-13-15-24-16-14-20/h4-8H,2-3,9-17H2,1H3
InChIKeyBRMLSNMGMMCAAW-UHFFFAOYSA-N
XLogP2.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-morpholin-4-yl-4-phenyl-N-propylpiperidine-1-carboxamide
CID 110637882
4-(3-phenylpropylsulfonyl)morpholine
CID 560201
8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 17377912
1'-butylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 163880046
4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 70703503
benzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate
CID 110637877
4-morpholin-4-yl-N,4-diphenylpiperidine-1-carboxamide
CID 110409254
1-butylsulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123967
1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]
CID 135087813
1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 55764759
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine
CID 110819064

Frequently Asked Questions

What is the IUPAC name of 4-(1-butylsulfonyl-4-phenylpiperidin-4-yl)morpholine?
The IUPAC name of 4-(1-butylsulfonyl-4-phenylpiperidin-4-yl)morpholine (CID 110637889) is 4-(1-butylsulfonyl-4-phenylpiperidin-4-yl)morpholine.
What is the SMILES notation for 4-(1-butylsulfonyl-4-phenylpiperidin-4-yl)morpholine?
The canonical SMILES for 4-(1-butylsulfonyl-4-phenylpiperidin-4-yl)morpholine is CCCCS(=O)(=O)N1CCC(c2ccccc2)(N2CCOCC2)CC1.
What is the InChIKey of 4-(1-butylsulfonyl-4-phenylpiperidin-4-yl)morpholine?
The InChIKey is BRMLSNMGMMCAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-2-3-17-25(22,23)21-11-9-19(10-12-21,18-7-5-4-6-8-18)20-13-15-24-16-14-20/h4-8H,2-3,9-17H2,1H3.
What are the key properties of 4-(1-butylsulfonyl-4-phenylpiperidin-4-yl)morpholine?
4-(1-butylsulfonyl-4-phenylpiperidin-4-yl)morpholine has a molecular weight of 366.53 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butylsulfonyl-4-phenylpiperidin-4-yl)morpholine is sourced from PubChem (CID 110637889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).