2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone

C18H26N2O2 — CID 14810985

IUPAC2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(O)cc1)N1CCCCC1CN1CCCC1
InChIInChI=1S/C18H26N2O2/c21-17-8-6-15(7-9-17)13-18(22)20-12-2-1-5-16(20)14-19-10-3-4-11-19/h6-9,16,21H,1-5,10-14H2
InChIKeyZXDHAKBZZDCMGU-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.41
Rot. Bonds4

About 2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone

2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 14810985) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
PubChem CID14810985
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(O)cc1)N1CCCCC1CN1CCCC1
InChIInChI=1S/C18H26N2O2/c21-17-8-6-15(7-9-17)13-18(22)20-12-2-1-5-16(20)14-19-10-3-4-11-19/h6-9,16,21H,1-5,10-14H2
InChIKeyZXDHAKBZZDCMGU-UHFFFAOYSA-N
XLogP2.41
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 51095038
2-(3,4-dichlorophenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 11315337
2-(3,4-dichlorophenyl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 558418
2-(4-hydroxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 110465878
2-(4-methylsulfanylphenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 70755072
2-(4-methoxy-3-methylphenyl)-1-[2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 46981954
1-[2-(4-hydroxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64558978
2-[1-(2-phenylacetyl)piperidin-4-yl]-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 92633667
1-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 46988256
1-[2-(bromomethyl)piperidin-1-yl]-2-(4-bromophenyl)ethanone
CID 80659749
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 63255198
1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 14810975

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone (CID 14810985) is 2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone is O=C(Cc1ccc(O)cc1)N1CCCCC1CN1CCCC1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is ZXDHAKBZZDCMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-17-8-6-15(7-9-17)13-18(22)20-12-2-1-5-16(20)14-19-10-3-4-11-19/h6-9,16,21H,1-5,10-14H2.
What are the key properties of 2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone?
2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 14810985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).