(1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol

C11H21NO — CID 127000307

IUPAC(1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol
SMILESC=CC(C)N1CCC(C)(CO)CC1
InChIInChI=1S/C11H21NO/c1-4-10(2)12-7-5-11(3,9-13)6-8-12/h4,10,13H,1,5-9H2,2-3H3
InChIKeyVVNFSDFBMBLDHD-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.66
Rot. Bonds3

About (1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol

(1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol (PubChem CID 127000307) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol
PubChem CID127000307
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol
SMILESC=CC(C)N1CCC(C)(CO)CC1
InChIInChI=1S/C11H21NO/c1-4-10(2)12-7-5-11(3,9-13)6-8-12/h4,10,13H,1,5-9H2,2-3H3
InChIKeyVVNFSDFBMBLDHD-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-en-2-yl-4-ethyl-4-methylpiperidine
CID 130841239
1-but-3-en-2-yl-4-methylpiperidin-4-ol
CID 80702409
1-but-3-en-2-yl-4-methylpiperidine-4-carboxylic acid
CID 63124469
1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine
CID 174254467
1-but-3-en-2-yl-4-methoxy-4-methylpiperidine
CID 126988728
(2R)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]propanoic acid
CID 129491011
(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol
CID 83914161
2-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol
CID 130991676
1-but-3-en-2-yl-3,3-difluoropyrrolidine
CID 130736637
(1-amino-4-methylpiperidin-4-yl)methanol
CID 121203102
(1,4-dimethylpiperidin-4-yl)methanol;ethane
CID 142863096
[1-[(buta-1,3-dien-2-ylamino)methyl]-4-methylpiperidin-4-yl]methanol
CID 170142343

Frequently Asked Questions

What is the IUPAC name of (1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol?
The IUPAC name of (1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol (CID 127000307) is (1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol.
What is the SMILES notation for (1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol?
The canonical SMILES for (1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol is C=CC(C)N1CCC(C)(CO)CC1.
What is the InChIKey of (1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol?
The InChIKey is VVNFSDFBMBLDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-10(2)12-7-5-11(3,9-13)6-8-12/h4,10,13H,1,5-9H2,2-3H3.
What are the key properties of (1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol?
(1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol has a molecular weight of 183.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol is sourced from PubChem (CID 127000307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).