1-methyl-3-methylidenepiperidine;hydrochloride

C7H14ClN — CID 160547096

IUPAC1-methyl-3-methylidenepiperidine;hydrochloride
SMILESC=C1CCCN(C)C1.Cl
InChIInChI=1S/C7H13N.ClH/c1-7-4-3-5-8(2)6-7;/h1,3-6H2,2H3;1H
InChIKeyQXOOADNPTGYWBO-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.69
Rot. Bonds

About 1-methyl-3-methylidenepiperidine;hydrochloride

1-methyl-3-methylidenepiperidine;hydrochloride (PubChem CID 160547096) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 1-methyl-3-methylidenepiperidine;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-methylidenepiperidine;hydrochloride
PubChem CID160547096
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name1-methyl-3-methylidenepiperidine;hydrochloride
SMILESC=C1CCCN(C)C1.Cl
InChIInChI=1S/C7H13N.ClH/c1-7-4-3-5-8(2)6-7;/h1,3-6H2,2H3;1H
InChIKeyQXOOADNPTGYWBO-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Piperidine, 1-methyl,4-methylene-
CID 139537
1-Methyl-3-methylidenepiperidine
CID 15656059
1,1-Dimethyl-3,5-dimethylenepiperidinium chloride
CID 3016839
1,2-Dimethyl-4-methylidenepiperidine
CID 14947891
1-Ethyl-3-methylidenepiperidine
CID 10701832
4-(Fluoromethylidene)-1-methylpiperidine
CID 139336579
(3S)-3-fluoro-1-methyl-5-methylidenepiperidine
CID 177326640
3,3-Difluoro-1-methyl-5-methylidenepiperidine
CID 177327432
1,2-Dimethyl-5-methylidenepiperidine
CID 14947890
1-Butyl-4-methylidenepiperidine
CID 15710812
1-(2-Fluoroethyl)-3-methylidenepiperidine
CID 130685371
CID 143993237
CID 143993237

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylidenepiperidine;hydrochloride?
The IUPAC name of 1-methyl-3-methylidenepiperidine;hydrochloride (CID 160547096) is 1-methyl-3-methylidenepiperidine;hydrochloride.
What is the SMILES notation for 1-methyl-3-methylidenepiperidine;hydrochloride?
The canonical SMILES for 1-methyl-3-methylidenepiperidine;hydrochloride is C=C1CCCN(C)C1.Cl.
What is the InChIKey of 1-methyl-3-methylidenepiperidine;hydrochloride?
The InChIKey is QXOOADNPTGYWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.ClH/c1-7-4-3-5-8(2)6-7;/h1,3-6H2,2H3;1H.
What are the key properties of 1-methyl-3-methylidenepiperidine;hydrochloride?
1-methyl-3-methylidenepiperidine;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylidenepiperidine;hydrochloride is sourced from PubChem (CID 160547096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).