4-[4-(2-methylpropyl)piperazin-1-yl]pyrrolidin-3-ol

C12H25N3O — CID 63705001

IUPAC4-[4-(2-methylpropyl)piperazin-1-yl]pyrrolidin-3-ol
SMILESCC(C)CN1CCN(C2CNCC2O)CC1
InChIInChI=1S/C12H25N3O/c1-10(2)9-14-3-5-15(6-4-14)11-7-13-8-12(11)16/h10-13,16H,3-9H2,1-2H3
InChIKeyKTVLUCMGMXODOU-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.41
Rot. Bonds3

About 4-[4-(2-methylpropyl)piperazin-1-yl]pyrrolidin-3-ol

4-[4-(2-methylpropyl)piperazin-1-yl]pyrrolidin-3-ol (PubChem CID 63705001) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)piperazin-1-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)piperazin-1-yl]pyrrolidin-3-ol
PubChem CID63705001
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-[4-(2-methylpropyl)piperazin-1-yl]pyrrolidin-3-ol
SMILESCC(C)CN1CCN(C2CNCC2O)CC1
InChIInChI=1S/C12H25N3O/c1-10(2)9-14-3-5-15(6-4-14)11-7-13-8-12(11)16/h10-13,16H,3-9H2,1-2H3
InChIKeyKTVLUCMGMXODOU-UHFFFAOYSA-N
XLogP-0.41
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)piperazin-1-yl]pyrrolidin-3-ol?
The IUPAC name of 4-[4-(2-methylpropyl)piperazin-1-yl]pyrrolidin-3-ol (CID 63705001) is 4-[4-(2-methylpropyl)piperazin-1-yl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[4-(2-methylpropyl)piperazin-1-yl]pyrrolidin-3-ol?
The canonical SMILES for 4-[4-(2-methylpropyl)piperazin-1-yl]pyrrolidin-3-ol is CC(C)CN1CCN(C2CNCC2O)CC1.
What is the InChIKey of 4-[4-(2-methylpropyl)piperazin-1-yl]pyrrolidin-3-ol?
The InChIKey is KTVLUCMGMXODOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)9-14-3-5-15(6-4-14)11-7-13-8-12(11)16/h10-13,16H,3-9H2,1-2H3.
What are the key properties of 4-[4-(2-methylpropyl)piperazin-1-yl]pyrrolidin-3-ol?
4-[4-(2-methylpropyl)piperazin-1-yl]pyrrolidin-3-ol has a molecular weight of 227.35 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)piperazin-1-yl]pyrrolidin-3-ol is sourced from PubChem (CID 63705001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).