3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol

C16H18N2O — CID 15293226

IUPAC3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol
SMILESOc1cccc(C2CCCN2Cc2ccncc2)c1
InChIInChI=1S/C16H18N2O/c19-15-4-1-3-14(11-15)16-5-2-10-18(16)12-13-6-8-17-9-7-13/h1,3-4,6-9,11,16,19H,2,5,10,12H2
InChIKeyROPFUSPHCUQSOQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.12
Rot. Bonds3

About 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol

3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol (PubChem CID 15293226) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol
PubChem CID15293226
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol
SMILESOc1cccc(C2CCCN2Cc2ccncc2)c1
InChIInChI=1S/C16H18N2O/c19-15-4-1-3-14(11-15)16-5-2-10-18(16)12-13-6-8-17-9-7-13/h1,3-4,6-9,11,16,19H,2,5,10,12H2
InChIKeyROPFUSPHCUQSOQ-UHFFFAOYSA-N
XLogP3.12
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
CID 127245045
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine
CID 20895828
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 73440222
4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine
CID 124500070
2-chloro-4-[(2-phenylpyrrolidin-1-yl)methyl]phenol
CID 82974669
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881
2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde
CID 174863712
3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
CID 146126331
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605

Frequently Asked Questions

What is the IUPAC name of 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol?
The IUPAC name of 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol (CID 15293226) is 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol.
What is the SMILES notation for 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol?
The canonical SMILES for 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol is Oc1cccc(C2CCCN2Cc2ccncc2)c1.
What is the InChIKey of 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol?
The InChIKey is ROPFUSPHCUQSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-15-4-1-3-14(11-15)16-5-2-10-18(16)12-13-6-8-17-9-7-13/h1,3-4,6-9,11,16,19H,2,5,10,12H2.
What are the key properties of 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol?
3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol has a molecular weight of 254.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol is sourced from PubChem (CID 15293226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).