1,3,3-trimethyl-2-(4-methylpiperidin-2-yl)bicyclo[2.2.1]heptan-2-ol

C16H29NO — CID 113302815

IUPAC1,3,3-trimethyl-2-(4-methylpiperidin-2-yl)bicyclo[2.2.1]heptan-2-ol
SMILESCC1CCNC(C2(O)C3(C)CCC(C3)C2(C)C)C1
InChIInChI=1S/C16H29NO/c1-11-6-8-17-13(9-11)16(18)14(2,3)12-5-7-15(16,4)10-12/h11-13,17-18H,5-10H2,1-4H3
InChIKeyVGZJLUCLBSNUTD-UHFFFAOYSA-N
MW251.41 g/mol
LogP2.95
Rot. Bonds1

About 1,3,3-trimethyl-2-(4-methylpiperidin-2-yl)bicyclo[2.2.1]heptan-2-ol

1,3,3-trimethyl-2-(4-methylpiperidin-2-yl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 113302815) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-(4-methylpiperidin-2-yl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,3,3-trimethyl-2-(4-methylpiperidin-2-yl)bicyclo[2.2.1]heptan-2-ol
PubChem CID113302815
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1,3,3-trimethyl-2-(4-methylpiperidin-2-yl)bicyclo[2.2.1]heptan-2-ol
SMILESCC1CCNC(C2(O)C3(C)CCC(C3)C2(C)C)C1
InChIInChI=1S/C16H29NO/c1-11-6-8-17-13(9-11)16(18)14(2,3)12-5-7-15(16,4)10-12/h11-13,17-18H,5-10H2,1-4H3
InChIKeyVGZJLUCLBSNUTD-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-(4-methylpiperidin-2-yl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,3,3-trimethyl-2-(4-methylpiperidin-2-yl)bicyclo[2.2.1]heptan-2-ol (CID 113302815) is 1,3,3-trimethyl-2-(4-methylpiperidin-2-yl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,3,3-trimethyl-2-(4-methylpiperidin-2-yl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,3,3-trimethyl-2-(4-methylpiperidin-2-yl)bicyclo[2.2.1]heptan-2-ol is CC1CCNC(C2(O)C3(C)CCC(C3)C2(C)C)C1.
What is the InChIKey of 1,3,3-trimethyl-2-(4-methylpiperidin-2-yl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is VGZJLUCLBSNUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-11-6-8-17-13(9-11)16(18)14(2,3)12-5-7-15(16,4)10-12/h11-13,17-18H,5-10H2,1-4H3.
What are the key properties of 1,3,3-trimethyl-2-(4-methylpiperidin-2-yl)bicyclo[2.2.1]heptan-2-ol?
1,3,3-trimethyl-2-(4-methylpiperidin-2-yl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 251.41 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-(4-methylpiperidin-2-yl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 113302815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).