2,4-dimethyl-4-piperidin-1-yl-1-propylcyclohexa-2,5-dien-1-ol

C16H27NO — CID 91245022

IUPAC2,4-dimethyl-4-piperidin-1-yl-1-propylcyclohexa-2,5-dien-1-ol
SMILESCCCC1(O)C=CC(C)(N2CCCCC2)C=C1C
InChIInChI=1S/C16H27NO/c1-4-8-16(18)10-9-15(3,13-14(16)2)17-11-6-5-7-12-17/h9-10,13,18H,4-8,11-12H2,1-3H3
InChIKeyQIGUAXVKSAYLNB-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.28
Rot. Bonds3

About 2,4-dimethyl-4-piperidin-1-yl-1-propylcyclohexa-2,5-dien-1-ol

2,4-dimethyl-4-piperidin-1-yl-1-propylcyclohexa-2,5-dien-1-ol (PubChem CID 91245022) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2,4-dimethyl-4-piperidin-1-yl-1-propylcyclohexa-2,5-dien-1-ol.

Molecular Properties

Compound Name2,4-dimethyl-4-piperidin-1-yl-1-propylcyclohexa-2,5-dien-1-ol
PubChem CID91245022
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2,4-dimethyl-4-piperidin-1-yl-1-propylcyclohexa-2,5-dien-1-ol
SMILESCCCC1(O)C=CC(C)(N2CCCCC2)C=C1C
InChIInChI=1S/C16H27NO/c1-4-8-16(18)10-9-15(3,13-14(16)2)17-11-6-5-7-12-17/h9-10,13,18H,4-8,11-12H2,1-3H3
InChIKeyQIGUAXVKSAYLNB-UHFFFAOYSA-N
XLogP3.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.28
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-[(E)-3-piperidin-1-ylprop-1-enyl]cyclohexan-1-ol
CID 721240
4-[(E)-but-1-enyl]-1,2,2,6,6-pentamethylpiperidin-4-ol
CID 20501086
4-But-1-enyl-1,2,2,6,6-pentamethylpiperidin-4-ol
CID 54144531
1,2,2,6,6-Pentamethyl-4-prop-1-enylpiperidin-4-ol
CID 54237835
4-(2,2-Dimethylpiperidin-1-yl)-1-propylcyclohexa-2,4-dien-1-ol
CID 68745676
1,2,2,6,6-pentamethyl-4-[(Z)-prop-1-enyl]piperidin-4-ol
CID 70524040
4-[3-(Diethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol
CID 129247011
ethane;4-[(3E,5Z)-hepta-3,5-dien-3-yl]-1-methylpiperidin-4-ol
CID 141949905
4-Cyclohepta-1,3,5-trien-1-yl-1-methylpiperidin-4-ol
CID 142096230
(2Z,5E)-4-[3-(diethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol
CID 145332818
(2E,5E)-4-[3-(diethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol
CID 145332821
1-Tert-butyl-4-phenylpiperidin-4-ol;carbanide;yttrium
CID 147378210

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-piperidin-1-yl-1-propylcyclohexa-2,5-dien-1-ol?
The IUPAC name of 2,4-dimethyl-4-piperidin-1-yl-1-propylcyclohexa-2,5-dien-1-ol (CID 91245022) is 2,4-dimethyl-4-piperidin-1-yl-1-propylcyclohexa-2,5-dien-1-ol.
What is the SMILES notation for 2,4-dimethyl-4-piperidin-1-yl-1-propylcyclohexa-2,5-dien-1-ol?
The canonical SMILES for 2,4-dimethyl-4-piperidin-1-yl-1-propylcyclohexa-2,5-dien-1-ol is CCCC1(O)C=CC(C)(N2CCCCC2)C=C1C.
What is the InChIKey of 2,4-dimethyl-4-piperidin-1-yl-1-propylcyclohexa-2,5-dien-1-ol?
The InChIKey is QIGUAXVKSAYLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-8-16(18)10-9-15(3,13-14(16)2)17-11-6-5-7-12-17/h9-10,13,18H,4-8,11-12H2,1-3H3.
What are the key properties of 2,4-dimethyl-4-piperidin-1-yl-1-propylcyclohexa-2,5-dien-1-ol?
2,4-dimethyl-4-piperidin-1-yl-1-propylcyclohexa-2,5-dien-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-piperidin-1-yl-1-propylcyclohexa-2,5-dien-1-ol is sourced from PubChem (CID 91245022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).