4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine

C13H22N2 — CID 143046625

IUPAC4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine
SMILESC/C=C\N=C\CCC=C1CCN(C)CC1
InChIInChI=1S/C13H22N2/c1-3-9-14-10-5-4-6-13-7-11-15(2)12-8-13/h3,6,9-10H,4-5,7-8,11-12H2,1-2H3/b9-3-,14-10+
InChIKeyHDNBQLYTZKIZDK-HYFZIKBYSA-N
MW206.33 g/mol
LogP3.02
Rot. Bonds4

About 4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine

4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine (PubChem CID 143046625) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine
PubChem CID143046625
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine
SMILESC/C=C\N=C\CCC=C1CCN(C)CC1
InChIInChI=1S/C13H22N2/c1-3-9-14-10-5-4-6-13-7-11-15(2)12-8-13/h3,6,9-10H,4-5,7-8,11-12H2,1-2H3/b9-3-,14-10+
InChIKeyHDNBQLYTZKIZDK-HYFZIKBYSA-N
XLogP3.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine with MolForge

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Related Compounds

3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine
CID 70813854
1-[2-methyl-4-[(1-methylpiperidin-4-ylidene)methyl]cyclobutyl]-N-[(Z)-prop-1-enyl]methanimine
CID 71214485
N-[(1Z)-buta-1,3-dienyl]-2-methyl-3-(1-methylpiperidin-4-ylidene)propan-1-imine
CID 89366339
5-(piperidin-1-ylmethyl)-4H-azepine
CID 123405058
N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine
CID 142099607
(4Z)-N-ethenyl-4-ethylidene-1-methylpiperidin-3-imine;methane
CID 142162049
2-(3H-azepin-4-yl)-N,N-dimethylethanamine
CID 142206849
N-[2-(3H-azepin-5-yl)ethyl]-N-methylbutan-1-amine
CID 142257717
(2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine
CID 142325543
3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine
CID 143046256
4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine
CID 143059291
(E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine
CID 143171835

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine?
The IUPAC name of 4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine (CID 143046625) is 4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine.
What is the SMILES notation for 4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine?
The canonical SMILES for 4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine is C/C=C\N=C\CCC=C1CCN(C)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine?
The InChIKey is HDNBQLYTZKIZDK-HYFZIKBYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-9-14-10-5-4-6-13-7-11-15(2)12-8-13/h3,6,9-10H,4-5,7-8,11-12H2,1-2H3/b9-3-,14-10+.
What are the key properties of 4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine?
4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine has a molecular weight of 206.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine is sourced from PubChem (CID 143046625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).