2-(1-pyridin-3-ylpiperidin-4-yl)thiomorpholine

C14H21N3S — CID 174843781

IUPAC2-(1-pyridin-3-ylpiperidin-4-yl)thiomorpholine
SMILESc1cncc(N2CCC(C3CNCCS3)CC2)c1
InChIInChI=1S/C14H21N3S/c1-2-13(10-15-5-1)17-7-3-12(4-8-17)14-11-16-6-9-18-14/h1-2,5,10,12,14,16H,3-4,6-9,11H2
InChIKeyWHBYKRODAJPESS-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.00
Rot. Bonds2

About 2-(1-pyridin-3-ylpiperidin-4-yl)thiomorpholine

2-(1-pyridin-3-ylpiperidin-4-yl)thiomorpholine (PubChem CID 174843781) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-(1-pyridin-3-ylpiperidin-4-yl)thiomorpholine.

Molecular Properties

Compound Name2-(1-pyridin-3-ylpiperidin-4-yl)thiomorpholine
PubChem CID174843781
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-(1-pyridin-3-ylpiperidin-4-yl)thiomorpholine
SMILESc1cncc(N2CCC(C3CNCCS3)CC2)c1
InChIInChI=1S/C14H21N3S/c1-2-13(10-15-5-1)17-7-3-12(4-8-17)14-11-16-6-9-18-14/h1-2,5,10,12,14,16H,3-4,6-9,11H2
InChIKeyWHBYKRODAJPESS-UHFFFAOYSA-N
XLogP2.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane
CID 10058322
4-methyl-1-pyridin-3-yl-1,5-diazocane;1-pyridin-3-yl-1,5-diazocane
CID 160649448
(1-pyridin-3-ylpiperidin-4-yl) hypochlorite
CID 174467060
1-pyridin-3-ylpiperidine-4-carbonitrile
CID 71721220
8-benzyl-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane
CID 22647066
3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane
CID 175933789
(4-pyridin-3-ylpiperazin-1-yl)phosphane
CID 21025744
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831
ethane;1-methyl-4-pyridin-3-ylpiperazine
CID 144911309
6-ethyl-3-methyl-1-pyridin-3-yl-1,5-diazocane
CID 54972790
3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine
CID 64920015
3-(3-methylpiperidin-1-yl)pyridine
CID 139386622

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-3-ylpiperidin-4-yl)thiomorpholine?
The IUPAC name of 2-(1-pyridin-3-ylpiperidin-4-yl)thiomorpholine (CID 174843781) is 2-(1-pyridin-3-ylpiperidin-4-yl)thiomorpholine.
What is the SMILES notation for 2-(1-pyridin-3-ylpiperidin-4-yl)thiomorpholine?
The canonical SMILES for 2-(1-pyridin-3-ylpiperidin-4-yl)thiomorpholine is c1cncc(N2CCC(C3CNCCS3)CC2)c1.
What is the InChIKey of 2-(1-pyridin-3-ylpiperidin-4-yl)thiomorpholine?
The InChIKey is WHBYKRODAJPESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-2-13(10-15-5-1)17-7-3-12(4-8-17)14-11-16-6-9-18-14/h1-2,5,10,12,14,16H,3-4,6-9,11H2.
What are the key properties of 2-(1-pyridin-3-ylpiperidin-4-yl)thiomorpholine?
2-(1-pyridin-3-ylpiperidin-4-yl)thiomorpholine has a molecular weight of 263.41 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-3-ylpiperidin-4-yl)thiomorpholine is sourced from PubChem (CID 174843781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).