2-methyl-1-[4-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-1-yl]propan-1-one

C17H27NO — CID 174262538

IUPAC2-methyl-1-[4-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-1-yl]propan-1-one
SMILESC=C(/C=C\C=C/C)CC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H27NO/c1-5-6-7-8-15(4)13-16-9-11-18(12-10-16)17(19)14(2)3/h5-8,14,16H,4,9-13H2,1-3H3/b6-5-,8-7-
InChIKeyKAISSSUDUOLWAX-ISTTXYCBSA-N
MW261.41 g/mol
LogP3.96
Rot. Bonds5

About 2-methyl-1-[4-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-1-yl]propan-1-one (PubChem CID 174262538) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-1-[4-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-1-yl]propan-1-one
PubChem CID174262538
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-methyl-1-[4-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-1-yl]propan-1-one
SMILESC=C(/C=C\C=C/C)CC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H27NO/c1-5-6-7-8-15(4)13-16-9-11-18(12-10-16)17(19)14(2)3/h5-8,14,16H,4,9-13H2,1-3H3/b6-5-,8-7-
InChIKeyKAISSSUDUOLWAX-ISTTXYCBSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-methyl-1-[4-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42562155
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 121200732
(2E,4E)-1-[4-(hydroxymethyl)piperidin-1-yl]hexa-2,4-dien-1-one
CID 60957495
2-[(1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enal
CID 117266767
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 169054534
2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 165116537
2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 166113429
1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen
CID 144853356
2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one
CID 169182421
(4E)-1-[(3R)-3-aminopyrrolidin-1-yl]hexa-2,4-dien-1-one
CID 81469862
2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-1-yl]propan-1-one (CID 174262538) is 2-methyl-1-[4-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-1-yl]propan-1-one is C=C(/C=C\C=C/C)CC1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 2-methyl-1-[4-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-1-yl]propan-1-one?
The InChIKey is KAISSSUDUOLWAX-ISTTXYCBSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-6-7-8-15(4)13-16-9-11-18(12-10-16)17(19)14(2)3/h5-8,14,16H,4,9-13H2,1-3H3/b6-5-,8-7-.
What are the key properties of 2-methyl-1-[4-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-1-yl]propan-1-one has a molecular weight of 261.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 174262538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).