2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol

C16H25NO — CID 112698258

IUPAC2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
SMILESCC(C)C1CCN(CC(C)(O)c2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-13(2)14-9-10-17(11-14)12-16(3,18)15-7-5-4-6-8-15/h4-8,13-14,18H,9-12H2,1-3H3
InChIKeyZMFCGHABLBJBCX-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.87
Rot. Bonds4

About 2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol

2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol (PubChem CID 112698258) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
PubChem CID112698258
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
SMILESCC(C)C1CCN(CC(C)(O)c2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-13(2)14-9-10-17(11-14)12-16(3,18)15-7-5-4-6-8-15/h4-8,13-14,18H,9-12H2,1-3H3
InChIKeyZMFCGHABLBJBCX-UHFFFAOYSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-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

1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol
CID 63854628
(2R)-N-cyclopropyl-2-hydroxy-2-[1-[(2R)-2-hydroxy-2-phenylpropyl]piperidin-4-yl]acetamide
CID 129489619
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol
CID 63847704
2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid
CID 103501966
1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115928063
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol
CID 62373658
1-(2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
CID 62373973
2-phenyl-1-(3-propoxypiperidin-1-yl)propan-2-ol
CID 62375325
1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 62931095
1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol
CID 113251778
methyl (3S)-1-(2-hydroxy-2-phenylpropyl)piperidine-3-carboxylate
CID 79037956
2-[1-(2-hydroxy-2-phenylpropyl)azetidin-3-yl]acetic acid
CID 64617912

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol (CID 112698258) is 2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol is CC(C)C1CCN(CC(C)(O)c2ccccc2)C1.
What is the InChIKey of 2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is ZMFCGHABLBJBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)14-9-10-17(11-14)12-16(3,18)15-7-5-4-6-8-15/h4-8,13-14,18H,9-12H2,1-3H3.
What are the key properties of 2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol?
2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 112698258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).