3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol

C13H26N2O — CID 120848601

IUPAC3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol
SMILESCC1(C)CN(CC2CCCNC2)CCC1O
InChIInChI=1S/C13H26N2O/c1-13(2)10-15(7-5-12(13)16)9-11-4-3-6-14-8-11/h11-12,14,16H,3-10H2,1-2H3
InChIKeyTXSJBVKHDCIDHU-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.08
Rot. Bonds2

About 3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol

3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol (PubChem CID 120848601) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol
PubChem CID120848601
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol
SMILESCC1(C)CN(CC2CCCNC2)CCC1O
InChIInChI=1S/C13H26N2O/c1-13(2)10-15(7-5-12(13)16)9-11-4-3-6-14-8-11/h11-12,14,16H,3-10H2,1-2H3
InChIKeyTXSJBVKHDCIDHU-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine
CID 79678705
3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 120849326
(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 130662876
(3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine
CID 131186194
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
3-methyl-1-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120849955
(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine
CID 130630857
4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 115028862
3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
CID 120848616
[3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 120858328
4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane
CID 166490138
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol?
The IUPAC name of 3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol (CID 120848601) is 3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol?
The canonical SMILES for 3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol is CC1(C)CN(CC2CCCNC2)CCC1O.
What is the InChIKey of 3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol?
The InChIKey is TXSJBVKHDCIDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2)10-15(7-5-12(13)16)9-11-4-3-6-14-8-11/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol?
3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol has a molecular weight of 226.36 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 120848601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).