1-cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol

C20H33NO — CID 143215225

IUPAC1-cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol
SMILESCCC(C)CCCC(O)(C1C=CC=CC=C1)C1CCCNC1
InChIInChI=1S/C20H33NO/c1-3-17(2)10-8-14-20(22,19-13-9-15-21-16-19)18-11-6-4-5-7-12-18/h4-7,11-12,17-19,21-22H,3,8-10,13-16H2,1-2H3
InChIKeyYKFGIGZRJCRDTL-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.23
Rot. Bonds7

About 1-cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol

1-cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol (PubChem CID 143215225) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 1-cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol.

Molecular Properties

Compound Name1-cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol
PubChem CID143215225
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name1-cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol
SMILESCCC(C)CCCC(O)(C1C=CC=CC=C1)C1CCCNC1
InChIInChI=1S/C20H33NO/c1-3-17(2)10-8-14-20(22,19-13-9-15-21-16-19)18-11-6-4-5-7-12-18/h4-7,11-12,17-19,21-22H,3,8-10,13-16H2,1-2H3
InChIKeyYKFGIGZRJCRDTL-UHFFFAOYSA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol with MolForge

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Related Compounds

2-Methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol
CID 60152628
(6S)-2-methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol
CID 60152761
4-(Cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol
CID 91096213
(6S)-2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol
CID 117784864
(6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol
CID 123687881
(6S)-2-methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(2-methylpropylamino)methyl]heptan-2-ol
CID 130433403
1-[1-(6-Ethenylcyclohepta-1,3,6-trien-1-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 143037017
(8Z,10Z)-7-methylidene-6-piperidin-3-yldodeca-1,8,10-trien-6-ol
CID 143215332
4-(3-Cyclohepta-1,4,6-trien-1-ylpropyl)piperidin-4-ol;ethane;pentane;prop-1-ene
CID 144056536
2-(1-Piperidin-2-ylcyclohexa-2,4-dien-1-yl)pentan-2-ol
CID 174888577
1-(Cyclohepten-1-yl)-1-piperidin-3-ylethanol
CID 106650917
4-(3-Cyclohepta-1,4,6-trien-1-ylpropyl)piperidin-4-ol
CID 144056537

Frequently Asked Questions

What is the IUPAC name of 1-cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol?
The IUPAC name of 1-cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol (CID 143215225) is 1-cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol.
What is the SMILES notation for 1-cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol?
The canonical SMILES for 1-cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol is CCC(C)CCCC(O)(C1C=CC=CC=C1)C1CCCNC1.
What is the InChIKey of 1-cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol?
The InChIKey is YKFGIGZRJCRDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-3-17(2)10-8-14-20(22,19-13-9-15-21-16-19)18-11-6-4-5-7-12-18/h4-7,11-12,17-19,21-22H,3,8-10,13-16H2,1-2H3.
What are the key properties of 1-cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol?
1-cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol has a molecular weight of 303.49 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohepta-2,4,6-trien-1-yl-5-methyl-1-piperidin-3-ylheptan-1-ol is sourced from PubChem (CID 143215225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).