1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol

C17H26N2O — CID 62373658

IUPAC1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol
SMILESCC(O)(CN1CCN(CC2CC2)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-17(20,16-5-3-2-4-6-16)14-19-11-9-18(10-12-19)13-15-7-8-15/h2-6,15,20H,7-14H2,1H3
InChIKeyJAQLBGCTOPDSSU-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.92
Rot. Bonds5

About 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol

1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol (PubChem CID 62373658) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol
PubChem CID62373658
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol
SMILESCC(O)(CN1CCN(CC2CC2)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-17(20,16-5-3-2-4-6-16)14-19-11-9-18(10-12-19)13-15-7-8-15/h2-6,15,20H,7-14H2,1H3
InChIKeyJAQLBGCTOPDSSU-UHFFFAOYSA-N
XLogP1.92
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Trihexyphenidyl
CID 5572
Pridinol
CID 4904
Diphenidol
CID 3055
Trihexyphenidyl Hydrochloride
CID 66007
Diphenidol Hydrochloride
CID 66266
Cycrimine
CID 2911
Hexocyclium
CID 24199
Tridihexethyl
CID 20299
Tridihexethyl Chloride
CID 20298
Cycrimine Hydrochloride
CID 101597
Dipheridin
CID 120501
Tral
CID 101587

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol?
The IUPAC name of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol (CID 62373658) is 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol is CC(O)(CN1CCN(CC2CC2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol?
The InChIKey is JAQLBGCTOPDSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(20,16-5-3-2-4-6-16)14-19-11-9-18(10-12-19)13-15-7-8-15/h2-6,15,20H,7-14H2,1H3.
What are the key properties of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol?
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol has a molecular weight of 274.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol is sourced from PubChem (CID 62373658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).