3,3-dimethyl-4-[(2R)-2-methylundecyl]piperidin-4-ol

C19H39NO — CID 70881380

IUPAC3,3-dimethyl-4-[(2R)-2-methylundecyl]piperidin-4-ol
SMILESCCCCCCCCC[C@@H](C)CC1(O)CCNCC1(C)C
InChIInChI=1S/C19H39NO/c1-5-6-7-8-9-10-11-12-17(2)15-19(21)13-14-20-16-18(19,3)4/h17,20-21H,5-16H2,1-4H3/t17-,19?/m1/s1
InChIKeyJBKRWOQCODRLJE-DUSLRRAJSA-N
MW297.53 g/mol
LogP4.90
Rot. Bonds10

About 3,3-dimethyl-4-[(2R)-2-methylundecyl]piperidin-4-ol

3,3-dimethyl-4-[(2R)-2-methylundecyl]piperidin-4-ol (PubChem CID 70881380) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(2R)-2-methylundecyl]piperidin-4-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[(2R)-2-methylundecyl]piperidin-4-ol
PubChem CID70881380
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name3,3-dimethyl-4-[(2R)-2-methylundecyl]piperidin-4-ol
SMILESCCCCCCCCC[C@@H](C)CC1(O)CCNCC1(C)C
InChIInChI=1S/C19H39NO/c1-5-6-7-8-9-10-11-12-17(2)15-19(21)13-14-20-16-18(19,3)4/h17,20-21H,5-16H2,1-4H3/t17-,19?/m1/s1
InChIKeyJBKRWOQCODRLJE-DUSLRRAJSA-N
XLogP4.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(2R)-2-methylundecyl]piperidin-4-ol?
The IUPAC name of 3,3-dimethyl-4-[(2R)-2-methylundecyl]piperidin-4-ol (CID 70881380) is 3,3-dimethyl-4-[(2R)-2-methylundecyl]piperidin-4-ol.
What is the SMILES notation for 3,3-dimethyl-4-[(2R)-2-methylundecyl]piperidin-4-ol?
The canonical SMILES for 3,3-dimethyl-4-[(2R)-2-methylundecyl]piperidin-4-ol is CCCCCCCCC[C@@H](C)CC1(O)CCNCC1(C)C.
What is the InChIKey of 3,3-dimethyl-4-[(2R)-2-methylundecyl]piperidin-4-ol?
The InChIKey is JBKRWOQCODRLJE-DUSLRRAJSA-N. The full InChI is InChI=1S/C19H39NO/c1-5-6-7-8-9-10-11-12-17(2)15-19(21)13-14-20-16-18(19,3)4/h17,20-21H,5-16H2,1-4H3/t17-,19?/m1/s1.
What are the key properties of 3,3-dimethyl-4-[(2R)-2-methylundecyl]piperidin-4-ol?
3,3-dimethyl-4-[(2R)-2-methylundecyl]piperidin-4-ol has a molecular weight of 297.53 g/mol, XLogP of 4.90, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[(2R)-2-methylundecyl]piperidin-4-ol is sourced from PubChem (CID 70881380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).