3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol

C15H29NO2 — CID 103061324

IUPAC3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol
SMILESCC(C)(C)C1CCN(CC2COCCC2O)CC1
InChIInChI=1S/C15H29NO2/c1-15(2,3)13-4-7-16(8-5-13)10-12-11-18-9-6-14(12)17/h12-14,17H,4-11H2,1-3H3
InChIKeyKVBJXOPBLWDIKD-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.14
Rot. Bonds2

About 3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol

3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol (PubChem CID 103061324) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol
PubChem CID103061324
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol
SMILESCC(C)(C)C1CCN(CC2COCCC2O)CC1
InChIInChI=1S/C15H29NO2/c1-15(2,3)13-4-7-16(8-5-13)10-12-11-18-9-6-14(12)17/h12-14,17H,4-11H2,1-3H3
InChIKeyKVBJXOPBLWDIKD-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061129
1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol
CID 106674242
3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061499
4-tert-butyl-1-(oxan-4-ylmethyl)piperidine
CID 59743823
3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061519
3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 103061639
3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol
CID 103061636
4-[(4-tert-butylazepan-1-yl)methyl]oxolan-3-amine
CID 66236936
3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061162
3-[(2-ethylmorpholin-4-yl)methyl]oxan-4-ol
CID 103061280
3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol
CID 103061771
6-[(4-tert-butylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848349

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol?
The IUPAC name of 3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol (CID 103061324) is 3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol.
What is the SMILES notation for 3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol?
The canonical SMILES for 3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol is CC(C)(C)C1CCN(CC2COCCC2O)CC1.
What is the InChIKey of 3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol?
The InChIKey is KVBJXOPBLWDIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-15(2,3)13-4-7-16(8-5-13)10-12-11-18-9-6-14(12)17/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol?
3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol has a molecular weight of 255.40 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol is sourced from PubChem (CID 103061324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).