4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol;trihydrochloride

C9H22Cl3N3O — CID 53398782

IUPAC4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol;trihydrochloride
SMILESCN1CCN(C2CNCC2O)CC1.Cl.Cl.Cl
InChIInChI=1S/C9H19N3O.3ClH/c1-11-2-4-12(5-3-11)8-6-10-7-9(8)13;;;/h8-10,13H,2-7H2,1H3;3*1H
InChIKeyPQPUHXQVJKULHC-UHFFFAOYSA-N
MW294.65 g/mol
LogP-0.17
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol;trihydrochloride

4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol;trihydrochloride (PubChem CID 53398782) has the molecular formula C9H22Cl3N3O and a molecular weight of 294.65 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol;trihydrochloride.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol;trihydrochloride
PubChem CID53398782
Molecular FormulaC9H22Cl3N3O
Molecular Weight294.65 g/mol
Exact Mass293.08
IUPAC Name4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol;trihydrochloride
SMILESCN1CCN(C2CNCC2O)CC1.Cl.Cl.Cl
InChIInChI=1S/C9H19N3O.3ClH/c1-11-2-4-12(5-3-11)8-6-10-7-9(8)13;;;/h8-10,13H,2-7H2,1H3;3*1H
InChIKeyPQPUHXQVJKULHC-UHFFFAOYSA-N
XLogP-0.17
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.65
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol;trihydrochloride?
The IUPAC name of 4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol;trihydrochloride (CID 53398782) is 4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol;trihydrochloride.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol;trihydrochloride?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol;trihydrochloride is CN1CCN(C2CNCC2O)CC1.Cl.Cl.Cl.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol;trihydrochloride?
The InChIKey is PQPUHXQVJKULHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O.3ClH/c1-11-2-4-12(5-3-11)8-6-10-7-9(8)13;;;/h8-10,13H,2-7H2,1H3;3*1H.
What are the key properties of 4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol;trihydrochloride?
4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol;trihydrochloride has a molecular weight of 294.65 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol;trihydrochloride is sourced from PubChem (CID 53398782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).