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

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Related Compounds

1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 62931095
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol
CID 63847704
1-(2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
CID 62373973
(2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol
CID 140587728
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylpropan-2-ol
CID 78989187
2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 112698258
2-[1-(2-hydroxy-2-phenylpropyl)azetidin-3-yl]acetic acid
CID 64617912
4-[1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-yl]aniline
CID 80555597
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylpropan-2-ol
CID 107271988
1-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 64821370
4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454127
(2R)-N-cyclopropyl-2-hydroxy-2-[1-[(2R)-2-hydroxy-2-phenylpropyl]piperidin-4-yl]acetamide
CID 129489619

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).