1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol

C17H27NO — CID 112510765

IUPAC1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol
SMILESCC(C)Cc1ccc(C(O)CCN2CCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14(2)13-15-5-7-16(8-6-15)17(19)9-12-18-10-3-4-11-18/h5-8,14,17,19H,3-4,9-13H2,1-2H3
InChIKeyQHYBBXYGVOXPFM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.40
Rot. Bonds6

About 1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol

1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 112510765) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID112510765
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol
SMILESCC(C)Cc1ccc(C(O)CCN2CCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14(2)13-15-5-7-16(8-6-15)17(19)9-12-18-10-3-4-11-18/h5-8,14,17,19H,3-4,9-13H2,1-2H3
InChIKeyQHYBBXYGVOXPFM-UHFFFAOYSA-N
XLogP3.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
1-(4-methylsulfanylphenyl)-3-piperidin-1-ylpropan-1-ol
CID 82074348
2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60981654
1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70278414
(1S)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 70247468
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 115561346
3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 63427885
2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 71064255
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 25019144
3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 54122472
3-morpholin-4-yl-1-(4-propan-2-ylphenyl)propan-1-ol
CID 82105505
(1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70250173

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol (CID 112510765) is 1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol is CC(C)Cc1ccc(C(O)CCN2CCCC2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is QHYBBXYGVOXPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)13-15-5-7-16(8-6-15)17(19)9-12-18-10-3-4-11-18/h5-8,14,17,19H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol?
1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 112510765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).