[(3S)-1-(furan-3-ylmethyl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol

C16H25NO2 — CID 97122464

IUPAC[(3S)-1-(furan-3-ylmethyl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
SMILESCC(C)=CC[C@@]1(CO)CCCN(Cc2ccoc2)C1
InChIInChI=1S/C16H25NO2/c1-14(2)4-7-16(13-18)6-3-8-17(12-16)10-15-5-9-19-11-15/h4-5,9,11,18H,3,6-8,10,12-13H2,1-2H3/t16-/m0/s1
InChIKeyPEDYRKAFWPJTFY-INIZCTEOSA-N
MW263.38 g/mol
LogP3.21
Rot. Bonds5

About [(3S)-1-(furan-3-ylmethyl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol

[(3S)-1-(furan-3-ylmethyl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol (PubChem CID 97122464) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [(3S)-1-(furan-3-ylmethyl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(furan-3-ylmethyl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
PubChem CID97122464
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[(3S)-1-(furan-3-ylmethyl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
SMILESCC(C)=CC[C@@]1(CO)CCCN(Cc2ccoc2)C1
InChIInChI=1S/C16H25NO2/c1-14(2)4-7-16(13-18)6-3-8-17(12-16)10-15-5-9-19-11-15/h4-5,9,11,18H,3,6-8,10,12-13H2,1-2H3/t16-/m0/s1
InChIKeyPEDYRKAFWPJTFY-INIZCTEOSA-N
XLogP3.21
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[(3R)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 97148098
[1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
CID 70711017
[4-ethyl-1-(furan-3-ylmethyl)piperidin-4-yl]methanol
CID 115883315
[(3S)-3-(3-methylbut-2-enyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
CID 97140829
1-(furan-3-ylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 65068552
1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 95043139
[1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 70783462
3-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 70731474
[(3R)-1-(4-aminopyrimidin-2-yl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol
CID 97156516
3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid
CID 65064280
1-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-2-methylsulfanylethanone
CID 72907139
[1-(3-methylbut-2-enyl)cyclohexyl]methanol
CID 121012756

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(furan-3-ylmethyl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(furan-3-ylmethyl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol (CID 97122464) is [(3S)-1-(furan-3-ylmethyl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(furan-3-ylmethyl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(furan-3-ylmethyl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol is CC(C)=CC[C@@]1(CO)CCCN(Cc2ccoc2)C1.
What is the InChIKey of [(3S)-1-(furan-3-ylmethyl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol?
The InChIKey is PEDYRKAFWPJTFY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14(2)4-7-16(13-18)6-3-8-17(12-16)10-15-5-9-19-11-15/h4-5,9,11,18H,3,6-8,10,12-13H2,1-2H3/t16-/m0/s1.
What are the key properties of [(3S)-1-(furan-3-ylmethyl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol?
[(3S)-1-(furan-3-ylmethyl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol has a molecular weight of 263.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(furan-3-ylmethyl)-3-(3-methylbut-2-enyl)piperidin-3-yl]methanol is sourced from PubChem (CID 97122464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).