(4-piperidin-1-yl-1-propan-2-ylpyrrolidin-2-yl)methanol

C13H26N2O — CID 58584500

IUPAC(4-piperidin-1-yl-1-propan-2-ylpyrrolidin-2-yl)methanol
SMILESCC(C)N1CC(N2CCCCC2)CC1CO
InChIInChI=1S/C13H26N2O/c1-11(2)15-9-12(8-13(15)10-16)14-6-4-3-5-7-14/h11-13,16H,3-10H2,1-2H3
InChIKeyLXDZYXIENFLOGC-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.32
Rot. Bonds3

About (4-piperidin-1-yl-1-propan-2-ylpyrrolidin-2-yl)methanol

(4-piperidin-1-yl-1-propan-2-ylpyrrolidin-2-yl)methanol (PubChem CID 58584500) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (4-piperidin-1-yl-1-propan-2-ylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(4-piperidin-1-yl-1-propan-2-ylpyrrolidin-2-yl)methanol
PubChem CID58584500
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(4-piperidin-1-yl-1-propan-2-ylpyrrolidin-2-yl)methanol
SMILESCC(C)N1CC(N2CCCCC2)CC1CO
InChIInChI=1S/C13H26N2O/c1-11(2)15-9-12(8-13(15)10-16)14-6-4-3-5-7-14/h11-13,16H,3-10H2,1-2H3
InChIKeyLXDZYXIENFLOGC-UHFFFAOYSA-N
XLogP1.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-yl-1-propan-2-ylpyrrolidin-2-yl)methanol?
The IUPAC name of (4-piperidin-1-yl-1-propan-2-ylpyrrolidin-2-yl)methanol (CID 58584500) is (4-piperidin-1-yl-1-propan-2-ylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (4-piperidin-1-yl-1-propan-2-ylpyrrolidin-2-yl)methanol?
The canonical SMILES for (4-piperidin-1-yl-1-propan-2-ylpyrrolidin-2-yl)methanol is CC(C)N1CC(N2CCCCC2)CC1CO.
What is the InChIKey of (4-piperidin-1-yl-1-propan-2-ylpyrrolidin-2-yl)methanol?
The InChIKey is LXDZYXIENFLOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)15-9-12(8-13(15)10-16)14-6-4-3-5-7-14/h11-13,16H,3-10H2,1-2H3.
What are the key properties of (4-piperidin-1-yl-1-propan-2-ylpyrrolidin-2-yl)methanol?
(4-piperidin-1-yl-1-propan-2-ylpyrrolidin-2-yl)methanol has a molecular weight of 226.36 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-yl-1-propan-2-ylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 58584500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).