(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine

C11H20N2 — CID 142061223

IUPAC(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
SMILESCC/C(=C\C=N\C)N1CCCCC1
InChIInChI=1S/C11H20N2/c1-3-11(7-8-12-2)13-9-5-4-6-10-13/h7-8H,3-6,9-10H2,1-2H3/b11-7+,12-8+
InChIKeyBUQDIFIGZXSHBP-MKICQXMISA-N
MW180.30 g/mol
LogP2.47
Rot. Bonds3

About (E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine

(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine (PubChem CID 142061223) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is (E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
PubChem CID142061223
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
SMILESCC/C(=C\C=N\C)N1CCCCC1
InChIInChI=1S/C11H20N2/c1-3-11(7-8-12-2)13-9-5-4-6-10-13/h7-8H,3-6,9-10H2,1-2H3/b11-7+,12-8+
InChIKeyBUQDIFIGZXSHBP-MKICQXMISA-N
XLogP2.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-4-piperidino-2,3-dihydropyridin
CID 137530180
N-(1,2,2-trimethyl-1,2,3,4-tetrahydropyridin-4-ylidene)piperidin-1-ium iodide
CID 156630785
6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine
CID 145198060
1-(2,3-Dihydropyridin-4-yl)-4-methylpiperazine
CID 123139522
N-[1-(1-ethylpiperidin-4-ylidene)propyl]ethanimine
CID 123416110
Ethylidene-hex-3-en-3-yl-pentan-2-ylazanium
CID 123424791
4-Piperidin-1-yl-2,5-dihydropyridine
CID 129208888
N-methyl-2-piperidin-1-ylprop-2-en-1-imine
CID 129301015
1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine
CID 130217430
2-piperidin-1-yl-4H-azepine
CID 134292058
N-methyl-1-(5-methyl-1-prop-1-en-2-yl-3,4-dihydro-2H-pyridin-6-yl)methanimine
CID 134424576
(6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine
CID 139420142

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine?
The IUPAC name of (E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine (CID 142061223) is (E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine.
What is the SMILES notation for (E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine?
The canonical SMILES for (E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine is CC/C(=C\C=N\C)N1CCCCC1.
What is the InChIKey of (E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine?
The InChIKey is BUQDIFIGZXSHBP-MKICQXMISA-N. The full InChI is InChI=1S/C11H20N2/c1-3-11(7-8-12-2)13-9-5-4-6-10-13/h7-8H,3-6,9-10H2,1-2H3/b11-7+,12-8+.
What are the key properties of (E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine?
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine has a molecular weight of 180.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine is sourced from PubChem (CID 142061223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).