3-(1-benzylpyrrolidin-2-yl)pentan-3-ol

C16H25NO — CID 15207435

IUPAC3-(1-benzylpyrrolidin-2-yl)pentan-3-ol
SMILESCCC(O)(CC)C1CCCN1Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-3-16(18,4-2)15-11-8-12-17(15)13-14-9-6-5-7-10-14/h5-7,9-10,15,18H,3-4,8,11-13H2,1-2H3
InChIKeyCMPNFOCPRYARHD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.20
Rot. Bonds5

About 3-(1-benzylpyrrolidin-2-yl)pentan-3-ol

3-(1-benzylpyrrolidin-2-yl)pentan-3-ol (PubChem CID 15207435) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(1-benzylpyrrolidin-2-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(1-benzylpyrrolidin-2-yl)pentan-3-ol
PubChem CID15207435
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(1-benzylpyrrolidin-2-yl)pentan-3-ol
SMILESCCC(O)(CC)C1CCCN1Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-3-16(18,4-2)15-11-8-12-17(15)13-14-9-6-5-7-10-14/h5-7,9-10,15,18H,3-4,8,11-13H2,1-2H3
InChIKeyCMPNFOCPRYARHD-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

RB-042 HCl
CID 72735621
[(2S)-1-benzylpyrrolidin-2-yl]methanol
CID 719760
[(2R)-1-[(4-undecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 162654890
[(2R)-1-[(4-dodecylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 162661440
[(2R)-1-[(4-decylphenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 162665044
[(2R)-1-[2-(4-octylphenyl)ethyl]pyrrolidin-2-yl]methanol
CID 72735619
[(2S)-1-[2-(4-octylphenyl)ethyl]pyrrolidin-2-yl]methanol
CID 72735620
[(2S)-1-[2-(4-dodecylphenyl)ethyl]pyrrolidin-2-yl]methanol
CID 72735622
1-Benzyl-3-methylpiperidin-3-ol
CID 15283107
2-(1-Benzylpyrrolidin-3-yl)ethanol
CID 3390824
2-(1-Benzylpyrrolidin-2-yl)propan-2-ol
CID 22278632
(1-((2-(Aminomethyl)phenyl)methyl)pyrrolidin-2-yl)methanol
CID 61407811

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrrolidin-2-yl)pentan-3-ol?
The IUPAC name of 3-(1-benzylpyrrolidin-2-yl)pentan-3-ol (CID 15207435) is 3-(1-benzylpyrrolidin-2-yl)pentan-3-ol.
What is the SMILES notation for 3-(1-benzylpyrrolidin-2-yl)pentan-3-ol?
The canonical SMILES for 3-(1-benzylpyrrolidin-2-yl)pentan-3-ol is CCC(O)(CC)C1CCCN1Cc1ccccc1.
What is the InChIKey of 3-(1-benzylpyrrolidin-2-yl)pentan-3-ol?
The InChIKey is CMPNFOCPRYARHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-16(18,4-2)15-11-8-12-17(15)13-14-9-6-5-7-10-14/h5-7,9-10,15,18H,3-4,8,11-13H2,1-2H3.
What are the key properties of 3-(1-benzylpyrrolidin-2-yl)pentan-3-ol?
3-(1-benzylpyrrolidin-2-yl)pentan-3-ol has a molecular weight of 247.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrrolidin-2-yl)pentan-3-ol is sourced from PubChem (CID 15207435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).