4-(4-propan-2-ylpiperidin-4-yl)thiomorpholine

C12H24N2S — CID 165471273

IUPAC4-(4-propan-2-ylpiperidin-4-yl)thiomorpholine
SMILESCC(C)C1(N2CCSCC2)CCNCC1
InChIInChI=1S/C12H24N2S/c1-11(2)12(3-5-13-6-4-12)14-7-9-15-10-8-14/h11,13H,3-10H2,1-2H3
InChIKeyWZUBNDFISCSFOG-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.81
Rot. Bonds2

About 4-(4-propan-2-ylpiperidin-4-yl)thiomorpholine

4-(4-propan-2-ylpiperidin-4-yl)thiomorpholine (PubChem CID 165471273) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 4-(4-propan-2-ylpiperidin-4-yl)thiomorpholine.

Molecular Properties

Compound Name4-(4-propan-2-ylpiperidin-4-yl)thiomorpholine
PubChem CID165471273
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name4-(4-propan-2-ylpiperidin-4-yl)thiomorpholine
SMILESCC(C)C1(N2CCSCC2)CCNCC1
InChIInChI=1S/C12H24N2S/c1-11(2)12(3-5-13-6-4-12)14-7-9-15-10-8-14/h11,13H,3-10H2,1-2H3
InChIKeyWZUBNDFISCSFOG-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-propan-2-ylcyclopentyl)piperazine
CID 83818772
4-(4-ethylpiperidin-4-yl)thiomorpholine
CID 165471262
3-methyl-1-(4-propan-2-ylpiperidin-4-yl)piperidine
CID 165465526
4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazepane
CID 63129326
ethane;4-methyl-4-propan-2-ylazepane
CID 164876609
4-pentan-2-ylthiomorpholine
CID 127402640
4,4-di(propan-2-yl)thiane
CID 21069098
(4-piperazin-1-ylthian-4-yl)methanol
CID 61337983
4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119856169
aziridine;1,1-dibromoethane
CID 175898882
1,4-dithiane;ethane;thiomorpholine
CID 145202008
2-methyl-8a-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a][1,4]azaphosphinine 2-oxide
CID 171590791

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylpiperidin-4-yl)thiomorpholine?
The IUPAC name of 4-(4-propan-2-ylpiperidin-4-yl)thiomorpholine (CID 165471273) is 4-(4-propan-2-ylpiperidin-4-yl)thiomorpholine.
What is the SMILES notation for 4-(4-propan-2-ylpiperidin-4-yl)thiomorpholine?
The canonical SMILES for 4-(4-propan-2-ylpiperidin-4-yl)thiomorpholine is CC(C)C1(N2CCSCC2)CCNCC1.
What is the InChIKey of 4-(4-propan-2-ylpiperidin-4-yl)thiomorpholine?
The InChIKey is WZUBNDFISCSFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-11(2)12(3-5-13-6-4-12)14-7-9-15-10-8-14/h11,13H,3-10H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylpiperidin-4-yl)thiomorpholine?
4-(4-propan-2-ylpiperidin-4-yl)thiomorpholine has a molecular weight of 228.40 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylpiperidin-4-yl)thiomorpholine is sourced from PubChem (CID 165471273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).