1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-2-yl]propan-2-ol

C16H32N2O — CID 107302633

IUPAC1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1CCC1CCCCN1C
InChIInChI=1S/C16H32N2O/c1-14(19)13-16-8-4-6-11-18(16)12-9-15-7-3-5-10-17(15)2/h14-16,19H,3-13H2,1-2H3
InChIKeyPVYDAWSXQDNAOD-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.49
Rot. Bonds5

About 1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-2-yl]propan-2-ol

1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-2-yl]propan-2-ol (PubChem CID 107302633) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-2-yl]propan-2-ol
PubChem CID107302633
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1CCC1CCCCN1C
InChIInChI=1S/C16H32N2O/c1-14(19)13-16-8-4-6-11-18(16)12-9-15-7-3-5-10-17(15)2/h14-16,19H,3-13H2,1-2H3
InChIKeyPVYDAWSXQDNAOD-UHFFFAOYSA-N
XLogP2.49
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-2-yl]propan-2-ol (CID 107302633) is 1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-2-yl]propan-2-ol is CC(O)CC1CCCCN1CCC1CCCCN1C.
What is the InChIKey of 1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-2-yl]propan-2-ol?
The InChIKey is PVYDAWSXQDNAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(19)13-16-8-4-6-11-18(16)12-9-15-7-3-5-10-17(15)2/h14-16,19H,3-13H2,1-2H3.
What are the key properties of 1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-2-yl]propan-2-ol?
1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-2-yl]propan-2-ol has a molecular weight of 268.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 107302633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).