2-methyl-2-piperidin-1-ylheptan-3-ol

C13H27NO — CID 79045153

IUPAC2-methyl-2-piperidin-1-ylheptan-3-ol
SMILESCCCCC(O)C(C)(C)N1CCCCC1
InChIInChI=1S/C13H27NO/c1-4-5-9-12(15)13(2,3)14-10-7-6-8-11-14/h12,15H,4-11H2,1-3H3
InChIKeyPPXTVALBCFAUKX-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.80
Rot. Bonds5

About 2-methyl-2-piperidin-1-ylheptan-3-ol

2-methyl-2-piperidin-1-ylheptan-3-ol (PubChem CID 79045153) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-ylheptan-3-ol.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-ylheptan-3-ol
PubChem CID79045153
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methyl-2-piperidin-1-ylheptan-3-ol
SMILESCCCCC(O)C(C)(C)N1CCCCC1
InChIInChI=1S/C13H27NO/c1-4-5-9-12(15)13(2,3)14-10-7-6-8-11-14/h12,15H,4-11H2,1-3H3
InChIKeyPPXTVALBCFAUKX-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-ylheptan-3-ol?
The IUPAC name of 2-methyl-2-piperidin-1-ylheptan-3-ol (CID 79045153) is 2-methyl-2-piperidin-1-ylheptan-3-ol.
What is the SMILES notation for 2-methyl-2-piperidin-1-ylheptan-3-ol?
The canonical SMILES for 2-methyl-2-piperidin-1-ylheptan-3-ol is CCCCC(O)C(C)(C)N1CCCCC1.
What is the InChIKey of 2-methyl-2-piperidin-1-ylheptan-3-ol?
The InChIKey is PPXTVALBCFAUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-5-9-12(15)13(2,3)14-10-7-6-8-11-14/h12,15H,4-11H2,1-3H3.
What are the key properties of 2-methyl-2-piperidin-1-ylheptan-3-ol?
2-methyl-2-piperidin-1-ylheptan-3-ol has a molecular weight of 213.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-ylheptan-3-ol is sourced from PubChem (CID 79045153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).