(Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-en-1-ol

C12H23NO — CID 117267630

IUPAC(Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-en-1-ol
SMILESCC(C)N1CCCCC1/C=C\CCO
InChIInChI=1S/C12H23NO/c1-11(2)13-9-5-3-7-12(13)8-4-6-10-14/h4,8,11-12,14H,3,5-7,9-10H2,1-2H3/b8-4-
InChIKeyFSTPBAOUGCLYMT-YWEYNIOJSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds4

About (Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-en-1-ol

(Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-en-1-ol (PubChem CID 117267630) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-en-1-ol
PubChem CID117267630
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-en-1-ol
SMILESCC(C)N1CCCCC1/C=C\CCO
InChIInChI=1S/C12H23NO/c1-11(2)13-9-5-3-7-12(13)8-4-6-10-14/h4,8,11-12,14H,3,5-7,9-10H2,1-2H3/b8-4-
InChIKeyFSTPBAOUGCLYMT-YWEYNIOJSA-N
XLogP2.19
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 ≤ 52.19
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

(Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-enal
CID 117267636
2-[(Z)-3-isocyanatoprop-1-enyl]-1-propan-2-ylpiperidine
CID 117267603
(2R)-1-propan-2-ylpyrrolidine-2-carbaldehyde
CID 130787458
methyl (E)-3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]prop-2-enoate
CID 169177443
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611
1,2-di(propan-2-yl)azocane
CID 134605032
2-(1-propan-2-ylpiperidin-2-yl)prop-2-en-1-ol
CID 117266680
(Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-en-1-ol
CID 117265989
(Z)-5-(1-methylpiperidin-2-yl)pent-3-en-1-ol
CID 117267735
2-(1-bromopropan-2-yl)-1-propan-2-ylpiperidine
CID 164645144
(Z)-5-(1-propan-2-ylpiperidin-3-yl)pent-3-en-1-ol
CID 117267793
2-methyl-1-propan-2-ylazepane
CID 66910895

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-en-1-ol?
The IUPAC name of (Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-en-1-ol (CID 117267630) is (Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-en-1-ol.
What is the SMILES notation for (Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-en-1-ol?
The canonical SMILES for (Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-en-1-ol is CC(C)N1CCCCC1/C=C\CCO.
What is the InChIKey of (Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-en-1-ol?
The InChIKey is FSTPBAOUGCLYMT-YWEYNIOJSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)13-9-5-3-7-12(13)8-4-6-10-14/h4,8,11-12,14H,3,5-7,9-10H2,1-2H3/b8-4-.
What are the key properties of (Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-en-1-ol?
(Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-en-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1-propan-2-ylpiperidin-2-yl)but-3-en-1-ol is sourced from PubChem (CID 117267630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).