N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine

C12H22N2 — CID 123885206

IUPACN,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine
SMILESC/N=C/C=C(C)CC1CCN(C)CC1
InChIInChI=1S/C12H22N2/c1-11(4-7-13-2)10-12-5-8-14(3)9-6-12/h4,7,12H,5-6,8-10H2,1-3H3/b11-4?,13-7+
InChIKeyGQRKYLMEBVDCDH-FDYPENFWSA-N
MW194.32 g/mol
LogP2.37
Rot. Bonds3

About N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine

N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine (PubChem CID 123885206) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine.

Molecular Properties

Compound NameN,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine
PubChem CID123885206
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine
SMILESC/N=C/C=C(C)CC1CCN(C)CC1
InChIInChI=1S/C12H22N2/c1-11(4-7-13-2)10-12-5-8-14(3)9-6-12/h4,7,12H,5-6,8-10H2,1-3H3/b11-4?,13-7+
InChIKeyGQRKYLMEBVDCDH-FDYPENFWSA-N
XLogP2.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.37
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

N-[(E)-Methyl](phenyl)-N-[(E)-2-propenylidene]methanaminium
CID 137349817
3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 56980713
N,N-dimethyl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 57065637
N,N-dimethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 57233792
(2-ethyl-3,4,8,8a-tetrahydro-1H-isoquinolin-6-yl)methanimine
CID 89514112
(Z,4S,5Z)-5-ethylidene-N,N,4-trimethyl-8-methyliminooct-6-en-1-amine
CID 89839678
1-Methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine
CID 90937325
5-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91459524
1,3,5-trimethyl-3,4-dihydro-2H-azepin-1-ium
CID 124001836
4-(2-Methylpentan-3-yl)-2,3-dihydropyridine
CID 129189646
1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine
CID 130217430
5-(1-Methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine
CID 134364993

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine?
The IUPAC name of N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine (CID 123885206) is N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine.
What is the SMILES notation for N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine?
The canonical SMILES for N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine is C/N=C/C=C(C)CC1CCN(C)CC1.
What is the InChIKey of N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine?
The InChIKey is GQRKYLMEBVDCDH-FDYPENFWSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(4-7-13-2)10-12-5-8-14(3)9-6-12/h4,7,12H,5-6,8-10H2,1-3H3/b11-4?,13-7+.
What are the key properties of N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine?
N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine has a molecular weight of 194.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine is sourced from PubChem (CID 123885206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).