1-(4-phenylpiperazin-1-yl)-3-(propan-2-ylamino)propan-2-ol;hydrochloride

C16H28ClN3O — CID 11971532

IUPAC1-(4-phenylpiperazin-1-yl)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)CN1CCN(c2ccccc2)CC1.Cl
InChIInChI=1S/C16H27N3O.ClH/c1-14(2)17-12-16(20)13-18-8-10-19(11-9-18)15-6-4-3-5-7-15;/h3-7,14,16-17,20H,8-13H2,1-2H3;1H
InChIKeyQUHDMFQRKSBZDW-UHFFFAOYSA-N
MW313.87 g/mol
LogP1.59
Rot. Bonds6

About 1-(4-phenylpiperazin-1-yl)-3-(propan-2-ylamino)propan-2-ol;hydrochloride

1-(4-phenylpiperazin-1-yl)-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 11971532) has the molecular formula C16H28ClN3O and a molecular weight of 313.87 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID11971532
Molecular FormulaC16H28ClN3O
Molecular Weight313.87 g/mol
Exact Mass313.19
IUPAC Name1-(4-phenylpiperazin-1-yl)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)CN1CCN(c2ccccc2)CC1.Cl
InChIInChI=1S/C16H27N3O.ClH/c1-14(2)17-12-16(20)13-18-8-10-19(11-9-18)15-6-4-3-5-7-15;/h3-7,14,16-17,20H,8-13H2,1-2H3;1H
InChIKeyQUHDMFQRKSBZDW-UHFFFAOYSA-N
XLogP1.59
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 11971532) is 1-(4-phenylpiperazin-1-yl)-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-3-(propan-2-ylamino)propan-2-ol;hydrochloride is CC(C)NCC(O)CN1CCN(c2ccccc2)CC1.Cl.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is QUHDMFQRKSBZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O.ClH/c1-14(2)17-12-16(20)13-18-8-10-19(11-9-18)15-6-4-3-5-7-15;/h3-7,14,16-17,20H,8-13H2,1-2H3;1H.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
1-(4-phenylpiperazin-1-yl)-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 313.87 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-3-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 11971532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).