1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-ylpropan-2-ol;dihydrochloride

C17H29Cl2N3O — CID 3075718

IUPAC1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-ylpropan-2-ol;dihydrochloride
SMILESCl.Cl.OC(CN1CCCC1)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H27N3O.2ClH/c21-17(14-18-8-4-5-9-18)15-19-10-12-20(13-11-19)16-6-2-1-3-7-16;;/h1-3,6-7,17,21H,4-5,8-15H2;2*1H
InChIKeyZBQWBGPJDXJYJO-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.11
Rot. Bonds5

About 1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-ylpropan-2-ol;dihydrochloride

1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-ylpropan-2-ol;dihydrochloride (PubChem CID 3075718) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-ylpropan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-ylpropan-2-ol;dihydrochloride
PubChem CID3075718
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-ylpropan-2-ol;dihydrochloride
SMILESCl.Cl.OC(CN1CCCC1)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H27N3O.2ClH/c21-17(14-18-8-4-5-9-18)15-19-10-12-20(13-11-19)16-6-2-1-3-7-16;;/h1-3,6-7,17,21H,4-5,8-15H2;2*1H
InChIKeyZBQWBGPJDXJYJO-UHFFFAOYSA-N
XLogP2.11
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-ylpropan-2-ol;dihydrochloride?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-ylpropan-2-ol;dihydrochloride (CID 3075718) is 1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-ylpropan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-ylpropan-2-ol;dihydrochloride?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-ylpropan-2-ol;dihydrochloride is Cl.Cl.OC(CN1CCCC1)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-ylpropan-2-ol;dihydrochloride?
The InChIKey is ZBQWBGPJDXJYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c21-17(14-18-8-4-5-9-18)15-19-10-12-20(13-11-19)16-6-2-1-3-7-16;;/h1-3,6-7,17,21H,4-5,8-15H2;2*1H.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-ylpropan-2-ol;dihydrochloride?
1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-ylpropan-2-ol;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-3-pyrrolidin-1-ylpropan-2-ol;dihydrochloride is sourced from PubChem (CID 3075718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).