4-methyl-1-phenyl-4-pyrrolidin-1-ylpentan-3-ol

C16H25NO — CID 79056520

IUPAC4-methyl-1-phenyl-4-pyrrolidin-1-ylpentan-3-ol
SMILESCC(C)(C(O)CCc1ccccc1)N1CCCC1
InChIInChI=1S/C16H25NO/c1-16(2,17-12-6-7-13-17)15(18)11-10-14-8-4-3-5-9-14/h3-5,8-9,15,18H,6-7,10-13H2,1-2H3
InChIKeyBJTLVKRJQIYKAA-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.85
Rot. Bonds5

About 4-methyl-1-phenyl-4-pyrrolidin-1-ylpentan-3-ol

4-methyl-1-phenyl-4-pyrrolidin-1-ylpentan-3-ol (PubChem CID 79056520) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-methyl-1-phenyl-4-pyrrolidin-1-ylpentan-3-ol.

Molecular Properties

Compound Name4-methyl-1-phenyl-4-pyrrolidin-1-ylpentan-3-ol
PubChem CID79056520
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-methyl-1-phenyl-4-pyrrolidin-1-ylpentan-3-ol
SMILESCC(C)(C(O)CCc1ccccc1)N1CCCC1
InChIInChI=1S/C16H25NO/c1-16(2,17-12-6-7-13-17)15(18)11-10-14-8-4-3-5-9-14/h3-5,8-9,15,18H,6-7,10-13H2,1-2H3
InChIKeyBJTLVKRJQIYKAA-UHFFFAOYSA-N
XLogP2.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-4-morpholin-4-yl-1-phenylpentan-3-ol
CID 79045884
3-(azepan-1-yl)-3-methyl-1-phenylbutan-2-ol
CID 79052263
(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616
2-methyl-2-piperidin-1-ylhexan-3-ol
CID 79045077
2,7,7-trimethyl-2-pyrrolidin-1-yloctan-3-ol
CID 114209872
(4-methyl-4-morpholin-4-yl-1-phenylpentan-3-yl)hydrazine
CID 105240046
5-phenyl-2-piperidin-1-ylpentan-2-ol
CID 67739999
(2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol
CID 101441637
4-methyl-4-morpholin-4-yl-1-thiophen-3-ylpentan-3-ol
CID 79045888
4-phenyl-1-piperidin-1-ylbutan-2-ol
CID 57323966
3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79045291
3-(azepan-1-yl)-3-methyl-5-phenylpentanoic acid
CID 64528496

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenyl-4-pyrrolidin-1-ylpentan-3-ol?
The IUPAC name of 4-methyl-1-phenyl-4-pyrrolidin-1-ylpentan-3-ol (CID 79056520) is 4-methyl-1-phenyl-4-pyrrolidin-1-ylpentan-3-ol.
What is the SMILES notation for 4-methyl-1-phenyl-4-pyrrolidin-1-ylpentan-3-ol?
The canonical SMILES for 4-methyl-1-phenyl-4-pyrrolidin-1-ylpentan-3-ol is CC(C)(C(O)CCc1ccccc1)N1CCCC1.
What is the InChIKey of 4-methyl-1-phenyl-4-pyrrolidin-1-ylpentan-3-ol?
The InChIKey is BJTLVKRJQIYKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,17-12-6-7-13-17)15(18)11-10-14-8-4-3-5-9-14/h3-5,8-9,15,18H,6-7,10-13H2,1-2H3.
What are the key properties of 4-methyl-1-phenyl-4-pyrrolidin-1-ylpentan-3-ol?
4-methyl-1-phenyl-4-pyrrolidin-1-ylpentan-3-ol has a molecular weight of 247.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenyl-4-pyrrolidin-1-ylpentan-3-ol is sourced from PubChem (CID 79056520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).