(5-methylcyclohepta-1,3,6-trien-1-yl)-piperidin-4-ylmethanone

C14H19NO — CID 142864823

IUPAC(5-methylcyclohepta-1,3,6-trien-1-yl)-piperidin-4-ylmethanone
SMILESCC1C=CC=C(C(=O)C2CCNCC2)C=C1
InChIInChI=1S/C14H19NO/c1-11-3-2-4-12(6-5-11)14(16)13-7-9-15-10-8-13/h2-6,11,13,15H,7-10H2,1H3
InChIKeyFCTQDOSLOPLYTN-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.24
Rot. Bonds2

About (5-methylcyclohepta-1,3,6-trien-1-yl)-piperidin-4-ylmethanone

(5-methylcyclohepta-1,3,6-trien-1-yl)-piperidin-4-ylmethanone (PubChem CID 142864823) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (5-methylcyclohepta-1,3,6-trien-1-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(5-methylcyclohepta-1,3,6-trien-1-yl)-piperidin-4-ylmethanone
PubChem CID142864823
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(5-methylcyclohepta-1,3,6-trien-1-yl)-piperidin-4-ylmethanone
SMILESCC1C=CC=C(C(=O)C2CCNCC2)C=C1
InChIInChI=1S/C14H19NO/c1-11-3-2-4-12(6-5-11)14(16)13-7-9-15-10-8-13/h2-6,11,13,15H,7-10H2,1H3
InChIKeyFCTQDOSLOPLYTN-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-Difluorocyclohexa-1,5-dien-1-yl)-piperidin-4-ylmethanone
CID 141328386
(4-Fluorocyclohepta-1,3,5-trien-1-yl)-piperidin-4-ylmethanone
CID 141942544
(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methyl-1-piperidin-4-ylhexa-2,4-dien-1-one
CID 142137775
[5-Fluoro-4-(3-methylbutyl)cyclohexa-1,5-dien-1-yl]-piperidin-4-ylmethanone
CID 142247449
(3Z,5E)-5-fluoro-2-methylidene-1-piperidin-4-ylhepta-3,5-dien-1-one
CID 143923274
1-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-(methylamino)butan-1-one
CID 156874513
2-(1-Methylpiperidin-4-yl)cyclohepta-2,4,6-trien-1-one
CID 44382755
2-(2,3-Difluorocyclohepta-1,3,6-trien-1-yl)-1-piperidin-4-ylethanone
CID 142816297
(2E,4E)-2-ethenyl-5-fluoro-1-[4-(4-fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]penta-2,4-dien-1-one
CID 143792344
5-(Ethylaminomethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 18320221
4,4-Dimethyl-5-(methylaminomethyl)-6-methylidenecyclohex-2-en-1-one
CID 18320229
(E)-1-piperidin-4-ylpent-3-en-1-one
CID 20735217

Frequently Asked Questions

What is the IUPAC name of (5-methylcyclohepta-1,3,6-trien-1-yl)-piperidin-4-ylmethanone?
The IUPAC name of (5-methylcyclohepta-1,3,6-trien-1-yl)-piperidin-4-ylmethanone (CID 142864823) is (5-methylcyclohepta-1,3,6-trien-1-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (5-methylcyclohepta-1,3,6-trien-1-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (5-methylcyclohepta-1,3,6-trien-1-yl)-piperidin-4-ylmethanone is CC1C=CC=C(C(=O)C2CCNCC2)C=C1.
What is the InChIKey of (5-methylcyclohepta-1,3,6-trien-1-yl)-piperidin-4-ylmethanone?
The InChIKey is FCTQDOSLOPLYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-3-2-4-12(6-5-11)14(16)13-7-9-15-10-8-13/h2-6,11,13,15H,7-10H2,1H3.
What are the key properties of (5-methylcyclohepta-1,3,6-trien-1-yl)-piperidin-4-ylmethanone?
(5-methylcyclohepta-1,3,6-trien-1-yl)-piperidin-4-ylmethanone has a molecular weight of 217.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylcyclohepta-1,3,6-trien-1-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 142864823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).