4-[3-(3-ethylpiperidin-1-yl)butyl]phenol

C17H27NO — CID 82976975

IUPAC4-[3-(3-ethylpiperidin-1-yl)butyl]phenol
SMILESCCC1CCCN(C(C)CCc2ccc(O)cc2)C1
InChIInChI=1S/C17H27NO/c1-3-15-5-4-12-18(13-15)14(2)6-7-16-8-10-17(19)11-9-16/h8-11,14-15,19H,3-7,12-13H2,1-2H3
InChIKeyXWFHTEDQEGFQQY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.84
Rot. Bonds5

About 4-[3-(3-ethylpiperidin-1-yl)butyl]phenol

4-[3-(3-ethylpiperidin-1-yl)butyl]phenol (PubChem CID 82976975) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[3-(3-ethylpiperidin-1-yl)butyl]phenol.

Molecular Properties

Compound Name4-[3-(3-ethylpiperidin-1-yl)butyl]phenol
PubChem CID82976975
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[3-(3-ethylpiperidin-1-yl)butyl]phenol
SMILESCCC1CCCN(C(C)CCc2ccc(O)cc2)C1
InChIInChI=1S/C17H27NO/c1-3-15-5-4-12-18(13-15)14(2)6-7-16-8-10-17(19)11-9-16/h8-11,14-15,19H,3-7,12-13H2,1-2H3
InChIKeyXWFHTEDQEGFQQY-UHFFFAOYSA-N
XLogP3.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[3-(trifluoromethyl)piperidin-1-yl]butyl]phenol
CID 82965632
4-[3-(3-ethyl-4-methylpiperazin-1-yl)butyl]phenol
CID 82980555
[(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol
CID 30982517
4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol
CID 115496095
1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid
CID 65066557
4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol
CID 103351984
1-[4-[4-(4-hydroxyphenyl)butan-2-yl]-1,4-diazepan-1-yl]ethanone
CID 82958265
4-[3-(3-amino-5-methylpiperidin-1-yl)butyl]phenol
CID 79986742
4-(3-morpholin-4-ylbutyl)phenol
CID 2846721
4-[2-[3-(dimethylamino)piperidin-1-yl]propyl]phenol
CID 82983896
3-(3-ethylpiperidin-1-yl)butanethioamide
CID 60914688
4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol
CID 61212712

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-ethylpiperidin-1-yl)butyl]phenol?
The IUPAC name of 4-[3-(3-ethylpiperidin-1-yl)butyl]phenol (CID 82976975) is 4-[3-(3-ethylpiperidin-1-yl)butyl]phenol.
What is the SMILES notation for 4-[3-(3-ethylpiperidin-1-yl)butyl]phenol?
The canonical SMILES for 4-[3-(3-ethylpiperidin-1-yl)butyl]phenol is CCC1CCCN(C(C)CCc2ccc(O)cc2)C1.
What is the InChIKey of 4-[3-(3-ethylpiperidin-1-yl)butyl]phenol?
The InChIKey is XWFHTEDQEGFQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-15-5-4-12-18(13-15)14(2)6-7-16-8-10-17(19)11-9-16/h8-11,14-15,19H,3-7,12-13H2,1-2H3.
What are the key properties of 4-[3-(3-ethylpiperidin-1-yl)butyl]phenol?
4-[3-(3-ethylpiperidin-1-yl)butyl]phenol has a molecular weight of 261.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-ethylpiperidin-1-yl)butyl]phenol is sourced from PubChem (CID 82976975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).