2-(pyrrolidin-1-ylmethyl)piperidin-3-ol

C10H20N2O — CID 15123236

IUPAC2-(pyrrolidin-1-ylmethyl)piperidin-3-ol
SMILESOC1CCCNC1CN1CCCC1
InChIInChI=1S/C10H20N2O/c13-10-4-3-5-11-9(10)8-12-6-1-2-7-12/h9-11,13H,1-8H2
InChIKeyBDGJVEBHIAMPHL-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.20
Rot. Bonds2

About 2-(pyrrolidin-1-ylmethyl)piperidin-3-ol

2-(pyrrolidin-1-ylmethyl)piperidin-3-ol (PubChem CID 15123236) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)piperidin-3-ol
PubChem CID15123236
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-(pyrrolidin-1-ylmethyl)piperidin-3-ol
SMILESOC1CCCNC1CN1CCCC1
InChIInChI=1S/C10H20N2O/c13-10-4-3-5-11-9(10)8-12-6-1-2-7-12/h9-11,13H,1-8H2
InChIKeyBDGJVEBHIAMPHL-UHFFFAOYSA-N
XLogP0.20
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)piperidin-3-ol (CID 15123236) is 2-(pyrrolidin-1-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)piperidin-3-ol is OC1CCCNC1CN1CCCC1.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The InChIKey is BDGJVEBHIAMPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c13-10-4-3-5-11-9(10)8-12-6-1-2-7-12/h9-11,13H,1-8H2.
What are the key properties of 2-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
2-(pyrrolidin-1-ylmethyl)piperidin-3-ol has a molecular weight of 184.28 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 15123236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).