N-methyl-1-[(2Z)-1-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)piperidin-3-yl]methanamine

C15H22N2 — CID 137428205

IUPACN-methyl-1-[(2Z)-1-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)piperidin-3-yl]methanamine
SMILESC=c1cccc/c1=C1\C(CNC)CCCN1C
InChIInChI=1S/C15H22N2/c1-12-7-4-5-9-14(12)15-13(11-16-2)8-6-10-17(15)3/h4-5,7,9,13,16H,1,6,8,10-11H2,2-3H3/b15-14-
InChIKeyVDCZOQCCMKFQJV-PFONDFGASA-N
MW230.36 g/mol
LogP0.77
Rot. Bonds2

About N-methyl-1-[(2Z)-1-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)piperidin-3-yl]methanamine

N-methyl-1-[(2Z)-1-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)piperidin-3-yl]methanamine (PubChem CID 137428205) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-methyl-1-[(2Z)-1-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(2Z)-1-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)piperidin-3-yl]methanamine
PubChem CID137428205
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN-methyl-1-[(2Z)-1-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)piperidin-3-yl]methanamine
SMILESC=c1cccc/c1=C1\C(CNC)CCCN1C
InChIInChI=1S/C15H22N2/c1-12-7-4-5-9-14(12)15-13(11-16-2)8-6-10-17(15)3/h4-5,7,9,13,16H,1,6,8,10-11H2,2-3H3/b15-14-
InChIKeyVDCZOQCCMKFQJV-PFONDFGASA-N
XLogP0.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
CID 69107959
N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70311004
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
(3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine
CID 137483340
(3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine
CID 167291286
1-(2-Fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
CID 176552600
1-(2-Fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
CID 176553006
Hexahydro-1h-pyrido[3,2-c]azepine
CID 129706364
4-Methylenetetrahydro-quinoline
CID 129787483
4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine
CID 142816354
1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)-N-methylpiperidin-4-amine
CID 19761289
1-(Cyclohexen-1-yl)-3-methylpiperidin-4-amine
CID 20395866

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2Z)-1-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[(2Z)-1-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)piperidin-3-yl]methanamine (CID 137428205) is N-methyl-1-[(2Z)-1-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(2Z)-1-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[(2Z)-1-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)piperidin-3-yl]methanamine is C=c1cccc/c1=C1\C(CNC)CCCN1C.
What is the InChIKey of N-methyl-1-[(2Z)-1-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)piperidin-3-yl]methanamine?
The InChIKey is VDCZOQCCMKFQJV-PFONDFGASA-N. The full InChI is InChI=1S/C15H22N2/c1-12-7-4-5-9-14(12)15-13(11-16-2)8-6-10-17(15)3/h4-5,7,9,13,16H,1,6,8,10-11H2,2-3H3/b15-14-.
What are the key properties of N-methyl-1-[(2Z)-1-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)piperidin-3-yl]methanamine?
N-methyl-1-[(2Z)-1-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)piperidin-3-yl]methanamine has a molecular weight of 230.36 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2Z)-1-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)piperidin-3-yl]methanamine is sourced from PubChem (CID 137428205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).