4-methoxy-N-[(Z)-[(4S)-4-methylpiperidin-3-ylidene]methyl]cyclohexa-2,4-dien-1-amine

C14H22N2O — CID 163429031

IUPAC4-methoxy-N-[(Z)-[(4S)-4-methylpiperidin-3-ylidene]methyl]cyclohexa-2,4-dien-1-amine
SMILESCOC1=CCC(N/C=C2\CNCC[C@@H]2C)C=C1
InChIInChI=1S/C14H22N2O/c1-11-7-8-15-9-12(11)10-16-13-3-5-14(17-2)6-4-13/h3,5-6,10-11,13,15-16H,4,7-9H2,1-2H3/b12-10+/t11-,13?/m0/s1
InChIKeyAOWZGVKPLPMHPQ-KNENKHCBSA-N
MW234.34 g/mol
LogP1.95
Rot. Bonds3

About 4-methoxy-N-[(Z)-[(4S)-4-methylpiperidin-3-ylidene]methyl]cyclohexa-2,4-dien-1-amine

4-methoxy-N-[(Z)-[(4S)-4-methylpiperidin-3-ylidene]methyl]cyclohexa-2,4-dien-1-amine (PubChem CID 163429031) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-[(4S)-4-methylpiperidin-3-ylidene]methyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-[(4S)-4-methylpiperidin-3-ylidene]methyl]cyclohexa-2,4-dien-1-amine
PubChem CID163429031
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-methoxy-N-[(Z)-[(4S)-4-methylpiperidin-3-ylidene]methyl]cyclohexa-2,4-dien-1-amine
SMILESCOC1=CCC(N/C=C2\CNCC[C@@H]2C)C=C1
InChIInChI=1S/C14H22N2O/c1-11-7-8-15-9-12(11)10-16-13-3-5-14(17-2)6-4-13/h3,5-6,10-11,13,15-16H,4,7-9H2,1-2H3/b12-10+/t11-,13?/m0/s1
InChIKeyAOWZGVKPLPMHPQ-KNENKHCBSA-N
XLogP1.95
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-N-[(Z)-[(4S)-4-methylpiperidin-3-ylidene]methyl]cyclohexa-2,4-dien-1-amine with MolForge

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Related Compounds

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CID 59686728
8,9-dimethoxy-2-methyl-3,4,4a,5-tetrahydro-1H-benzo[c][1,6]naphthyridine
CID 88060702
4-[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 88308841
6-[(1E,3E)-1-amino-4-methoxyhexa-1,3,5-trien-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 89085387
N-(cyclopropylmethyl)-1-[(1R)-4-methoxycyclohexa-2,4-dien-1-yl]prop-2-en-1-amine
CID 89290284
4-Methoxy-5-piperidin-4-yl-1,2-dihydropyridine
CID 118610282
4-Methoxy-3-piperidin-4-yl-1,2-dihydropyridine
CID 118610283
6-Methoxy-5-piperidin-4-yl-1,2-dihydropyridine
CID 118610355
5-Methoxy-6-piperidin-4-yl-1,2-dihydropyridine
CID 118610408
6-Methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline
CID 122544062
5-Methoxy-2-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(Z)-[(4S)-4-methylpiperidin-3-ylidene]methyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-methoxy-N-[(Z)-[(4S)-4-methylpiperidin-3-ylidene]methyl]cyclohexa-2,4-dien-1-amine (CID 163429031) is 4-methoxy-N-[(Z)-[(4S)-4-methylpiperidin-3-ylidene]methyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-methoxy-N-[(Z)-[(4S)-4-methylpiperidin-3-ylidene]methyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-methoxy-N-[(Z)-[(4S)-4-methylpiperidin-3-ylidene]methyl]cyclohexa-2,4-dien-1-amine is COC1=CCC(N/C=C2\CNCC[C@@H]2C)C=C1.
What is the InChIKey of 4-methoxy-N-[(Z)-[(4S)-4-methylpiperidin-3-ylidene]methyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is AOWZGVKPLPMHPQ-KNENKHCBSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-7-8-15-9-12(11)10-16-13-3-5-14(17-2)6-4-13/h3,5-6,10-11,13,15-16H,4,7-9H2,1-2H3/b12-10+/t11-,13?/m0/s1.
What are the key properties of 4-methoxy-N-[(Z)-[(4S)-4-methylpiperidin-3-ylidene]methyl]cyclohexa-2,4-dien-1-amine?
4-methoxy-N-[(Z)-[(4S)-4-methylpiperidin-3-ylidene]methyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 234.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-[(4S)-4-methylpiperidin-3-ylidene]methyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 163429031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).