N-[(1Z)-2-[(1-methylpiperidin-4-yl)methyl]buta-1,3-dienyl]methanimine

C12H20N2 — CID 143443971

IUPACN-[(1Z)-2-[(1-methylpiperidin-4-yl)methyl]buta-1,3-dienyl]methanimine
SMILESC=C/C(=C\N=C)CC1CCN(C)CC1
InChIInChI=1S/C12H20N2/c1-4-11(10-13-2)9-12-5-7-14(3)8-6-12/h4,10,12H,1-2,5-9H2,3H3/b11-10+
InChIKeyPPNUGFRSXNMOLL-ZHACJKMWSA-N
MW192.31 g/mol
LogP2.49
Rot. Bonds4

About N-[(1Z)-2-[(1-methylpiperidin-4-yl)methyl]buta-1,3-dienyl]methanimine

N-[(1Z)-2-[(1-methylpiperidin-4-yl)methyl]buta-1,3-dienyl]methanimine (PubChem CID 143443971) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[(1Z)-2-[(1-methylpiperidin-4-yl)methyl]buta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-2-[(1-methylpiperidin-4-yl)methyl]buta-1,3-dienyl]methanimine
PubChem CID143443971
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-[(1Z)-2-[(1-methylpiperidin-4-yl)methyl]buta-1,3-dienyl]methanimine
SMILESC=C/C(=C\N=C)CC1CCN(C)CC1
InChIInChI=1S/C12H20N2/c1-4-11(10-13-2)9-12-5-7-14(3)8-6-12/h4,10,12H,1-2,5-9H2,3H3/b11-10+
InChIKeyPPNUGFRSXNMOLL-ZHACJKMWSA-N
XLogP2.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-(2-methylidenebut-3-enyl)piperidine
CID 90407248
1-Methyl-4-(3-methylidenepent-4-enyl)piperidine
CID 90407429
N-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine
CID 123252528
2,3,4,5-tetramethyl-1-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]piperidine
CID 130284664
1-(2-Methyl-5-methylidenehept-6-enyl)piperidine
CID 134243185
1-Methyl-4-methylidene-3-prop-2-enylpiperidine
CID 143402603
N-[(1E)-2-[(4-methylpiperidin-1-yl)methyl]buta-1,3-dienyl]methanimine
CID 144404050
1-[(E)-4-ethylhept-1-enyl]piperidine
CID 144465922
ethane;N-[(1Z)-3-(1-ethylpiperidin-3-yl)buta-1,3-dienyl]methanimine
CID 144778371
3-Buta-1,3-dien-2-yl-1,4-dimethylpiperidine
CID 155266972
(1E)-2-ethyl-N-methyl-3-(1-methylpiperidin-4-yl)-N-propylbuta-1,3-dien-1-amine
CID 156450682
(E)-N-methyl-2-(1-methylidenepiperidin-1-ium-3-yl)-N-prop-2-enylprop-1-en-1-amine
CID 169905064

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-2-[(1-methylpiperidin-4-yl)methyl]buta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-2-[(1-methylpiperidin-4-yl)methyl]buta-1,3-dienyl]methanimine (CID 143443971) is N-[(1Z)-2-[(1-methylpiperidin-4-yl)methyl]buta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-2-[(1-methylpiperidin-4-yl)methyl]buta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-2-[(1-methylpiperidin-4-yl)methyl]buta-1,3-dienyl]methanimine is C=C/C(=C\N=C)CC1CCN(C)CC1.
What is the InChIKey of N-[(1Z)-2-[(1-methylpiperidin-4-yl)methyl]buta-1,3-dienyl]methanimine?
The InChIKey is PPNUGFRSXNMOLL-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-11(10-13-2)9-12-5-7-14(3)8-6-12/h4,10,12H,1-2,5-9H2,3H3/b11-10+.
What are the key properties of N-[(1Z)-2-[(1-methylpiperidin-4-yl)methyl]buta-1,3-dienyl]methanimine?
N-[(1Z)-2-[(1-methylpiperidin-4-yl)methyl]buta-1,3-dienyl]methanimine has a molecular weight of 192.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-2-[(1-methylpiperidin-4-yl)methyl]buta-1,3-dienyl]methanimine is sourced from PubChem (CID 143443971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).