4-(piperidin-3-ylmethyl)-9-oxa-1-thia-4-azaspiro[5.5]undecane;hydrochloride

C14H27ClN2OS — CID 120856747

IUPAC4-(piperidin-3-ylmethyl)-9-oxa-1-thia-4-azaspiro[5.5]undecane;hydrochloride
SMILESC1CNCC(CN2CCSC3(CCOCC3)C2)C1.Cl
InChIInChI=1S/C14H26N2OS.ClH/c1-2-13(10-15-5-1)11-16-6-9-18-14(12-16)3-7-17-8-4-14;/h13,15H,1-12H2;1H
InChIKeyAQYBEHNRTASWGX-UHFFFAOYSA-N
MW306.90 g/mol
LogP2.01
Rot. Bonds2

About 4-(piperidin-3-ylmethyl)-9-oxa-1-thia-4-azaspiro[5.5]undecane;hydrochloride

4-(piperidin-3-ylmethyl)-9-oxa-1-thia-4-azaspiro[5.5]undecane;hydrochloride (PubChem CID 120856747) has the molecular formula C14H27ClN2OS and a molecular weight of 306.90 g/mol. Its IUPAC name is 4-(piperidin-3-ylmethyl)-9-oxa-1-thia-4-azaspiro[5.5]undecane;hydrochloride.

Molecular Properties

Compound Name4-(piperidin-3-ylmethyl)-9-oxa-1-thia-4-azaspiro[5.5]undecane;hydrochloride
PubChem CID120856747
Molecular FormulaC14H27ClN2OS
Molecular Weight306.90 g/mol
Exact Mass306.15
IUPAC Name4-(piperidin-3-ylmethyl)-9-oxa-1-thia-4-azaspiro[5.5]undecane;hydrochloride
SMILESC1CNCC(CN2CCSC3(CCOCC3)C2)C1.Cl
InChIInChI=1S/C14H26N2OS.ClH/c1-2-13(10-15-5-1)11-16-6-9-18-14(12-16)3-7-17-8-4-14;/h13,15H,1-12H2;1H
InChIKeyAQYBEHNRTASWGX-UHFFFAOYSA-N
XLogP2.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.90
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride
CID 119931803
2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane
CID 79677882
9-(piperidin-3-ylmethyl)-6-oxa-9-azaspiro[3.6]decane
CID 120856412
5-[[(3S)-piperidin-3-yl]methyl]-1,2,5-dithiazepane
CID 130659365
(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine
CID 130630857
[3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 120858328
3-[[3-(oxan-4-yl)pyrrolidin-1-yl]methyl]piperidine
CID 120849762
6-(piperidin-3-ylmethyl)-2,9-dioxa-6-azaspiro[4.5]decane
CID 120855430
3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine
CID 79678705
3-methyl-1-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120849955
6-methyl-4-(piperidin-3-ylmethyl)-1,4-thiazepane;hydrochloride
CID 120853474
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-3-ylmethyl)-9-oxa-1-thia-4-azaspiro[5.5]undecane;hydrochloride?
The IUPAC name of 4-(piperidin-3-ylmethyl)-9-oxa-1-thia-4-azaspiro[5.5]undecane;hydrochloride (CID 120856747) is 4-(piperidin-3-ylmethyl)-9-oxa-1-thia-4-azaspiro[5.5]undecane;hydrochloride.
What is the SMILES notation for 4-(piperidin-3-ylmethyl)-9-oxa-1-thia-4-azaspiro[5.5]undecane;hydrochloride?
The canonical SMILES for 4-(piperidin-3-ylmethyl)-9-oxa-1-thia-4-azaspiro[5.5]undecane;hydrochloride is C1CNCC(CN2CCSC3(CCOCC3)C2)C1.Cl.
What is the InChIKey of 4-(piperidin-3-ylmethyl)-9-oxa-1-thia-4-azaspiro[5.5]undecane;hydrochloride?
The InChIKey is AQYBEHNRTASWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS.ClH/c1-2-13(10-15-5-1)11-16-6-9-18-14(12-16)3-7-17-8-4-14;/h13,15H,1-12H2;1H.
What are the key properties of 4-(piperidin-3-ylmethyl)-9-oxa-1-thia-4-azaspiro[5.5]undecane;hydrochloride?
4-(piperidin-3-ylmethyl)-9-oxa-1-thia-4-azaspiro[5.5]undecane;hydrochloride has a molecular weight of 306.90 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-3-ylmethyl)-9-oxa-1-thia-4-azaspiro[5.5]undecane;hydrochloride is sourced from PubChem (CID 120856747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).