3-methylidene-1-(4-methylpiperidin-1-yl)pentan-2-ol

C12H23NO — CID 131995211

IUPAC3-methylidene-1-(4-methylpiperidin-1-yl)pentan-2-ol
SMILESC=C(CC)C(O)CN1CCC(C)CC1
InChIInChI=1S/C12H23NO/c1-4-11(3)12(14)9-13-7-5-10(2)6-8-13/h10,12,14H,3-9H2,1-2H3
InChIKeyBKTYGBSIOIGNFH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.05
Rot. Bonds4

About 3-methylidene-1-(4-methylpiperidin-1-yl)pentan-2-ol

3-methylidene-1-(4-methylpiperidin-1-yl)pentan-2-ol (PubChem CID 131995211) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-methylidene-1-(4-methylpiperidin-1-yl)pentan-2-ol.

Molecular Properties

Compound Name3-methylidene-1-(4-methylpiperidin-1-yl)pentan-2-ol
PubChem CID131995211
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-methylidene-1-(4-methylpiperidin-1-yl)pentan-2-ol
SMILESC=C(CC)C(O)CN1CCC(C)CC1
InChIInChI=1S/C12H23NO/c1-4-11(3)12(14)9-13-7-5-10(2)6-8-13/h10,12,14H,3-9H2,1-2H3
InChIKeyBKTYGBSIOIGNFH-UHFFFAOYSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.05
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

CID 18713570
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CID 117266644
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CID 131995213
CID 131995213
CID 131995250
CID 131995250
CID 131995329
CID 131995329
CID 131995331
CID 131995331
CID 134447411
CID 134447411
CID 144043856
CID 144043856
CID 144236400
CID 144236400
CID 155200004
CID 155200004
CID 169871497
CID 169871497
CID 170195628
CID 170195628

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(4-methylpiperidin-1-yl)pentan-2-ol?
The IUPAC name of 3-methylidene-1-(4-methylpiperidin-1-yl)pentan-2-ol (CID 131995211) is 3-methylidene-1-(4-methylpiperidin-1-yl)pentan-2-ol.
What is the SMILES notation for 3-methylidene-1-(4-methylpiperidin-1-yl)pentan-2-ol?
The canonical SMILES for 3-methylidene-1-(4-methylpiperidin-1-yl)pentan-2-ol is C=C(CC)C(O)CN1CCC(C)CC1.
What is the InChIKey of 3-methylidene-1-(4-methylpiperidin-1-yl)pentan-2-ol?
The InChIKey is BKTYGBSIOIGNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-11(3)12(14)9-13-7-5-10(2)6-8-13/h10,12,14H,3-9H2,1-2H3.
What are the key properties of 3-methylidene-1-(4-methylpiperidin-1-yl)pentan-2-ol?
3-methylidene-1-(4-methylpiperidin-1-yl)pentan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(4-methylpiperidin-1-yl)pentan-2-ol is sourced from PubChem (CID 131995211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).