1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol

C14H21NO — CID 143413381

IUPAC1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol
SMILESCC1=CC(CN2CCC(O)CC2)C=CC=C1
InChIInChI=1S/C14H21NO/c1-12-4-2-3-5-13(10-12)11-15-8-6-14(16)7-9-15/h2-5,10,13-14,16H,6-9,11H2,1H3
InChIKeyMCTVSGKYWFTKFP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.13
Rot. Bonds2

About 1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol

1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol (PubChem CID 143413381) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol
PubChem CID143413381
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol
SMILESCC1=CC(CN2CCC(O)CC2)C=CC=C1
InChIInChI=1S/C14H21NO/c1-12-4-2-3-5-13(10-12)11-15-8-6-14(16)7-9-15/h2-5,10,13-14,16H,6-9,11H2,1H3
InChIKeyMCTVSGKYWFTKFP-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-Dimethyl-5-hepten-1-yl)-4-piperidinol
CID 2846177
1-[[4-Methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-ol
CID 144657257
1-(2,3-Dihydronaphthalen-2-ylmethyl)piperidin-4-ol
CID 87603240
[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol
CID 122535899
3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol
CID 139470817
1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol
CID 142260643
[1-[(3Z,5Z)-2-methylocta-3,5-dienyl]piperidin-4-yl]methanol
CID 142940201
ethane;4-methoxy-1-[(Z)-2-methylidenepent-3-enyl]piperidine
CID 142999628
1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol
CID 143150891
Ethane;3-fluoroprop-1-ene;1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol
CID 143413380
1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
CID 143718323
1-[(5E,7E)-5,8-dimethyl-4-methylidenedeca-5,7-dienyl]piperidin-4-ol
CID 144394058

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol (CID 143413381) is 1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol is CC1=CC(CN2CCC(O)CC2)C=CC=C1.
What is the InChIKey of 1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol?
The InChIKey is MCTVSGKYWFTKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-4-2-3-5-13(10-12)11-15-8-6-14(16)7-9-15/h2-5,10,13-14,16H,6-9,11H2,1H3.
What are the key properties of 1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol?
1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol has a molecular weight of 219.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclohepta-2,4,6-trien-1-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 143413381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).