N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine

C16H28N2O — CID 164737027

IUPACN-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine
SMILESC[C@@H]1C=C(OCCN(C)C2CCNCC2)C=C[C@@H]1C
InChIInChI=1S/C16H28N2O/c1-13-4-5-16(12-14(13)2)19-11-10-18(3)15-6-8-17-9-7-15/h4-5,12-15,17H,6-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyIKSUIISPTFBTTO-UONOGXRCSA-N
MW264.41 g/mol
LogP2.41
Rot. Bonds5

About N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine

N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine (PubChem CID 164737027) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine
PubChem CID164737027
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine
SMILESC[C@@H]1C=C(OCCN(C)C2CCNCC2)C=C[C@@H]1C
InChIInChI=1S/C16H28N2O/c1-13-4-5-16(12-14(13)2)19-11-10-18(3)15-6-8-17-9-7-15/h4-5,12-15,17H,6-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyIKSUIISPTFBTTO-UONOGXRCSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine with MolForge

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Related Compounds

N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine
CID 43607235
N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 43607211
N,N'-dimethyl-N,N'-di(piperidin-4-yl)ethane-1,2-diamine;tetrahydrochloride
CID 18770418
N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913425
N-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 120965903
butane;ethane;N-(2-methoxyethyl)-N-methylpiperidin-4-amine
CID 144963014
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
CID 104565100
4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile
CID 55173155
N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922977
N-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 64567145
2-[2-[azepan-4-yl(methyl)amino]ethoxy]ethanol
CID 107173264
N-[2-(4-ethylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 115118500

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine (CID 164737027) is N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine is C[C@@H]1C=C(OCCN(C)C2CCNCC2)C=C[C@@H]1C.
What is the InChIKey of N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine?
The InChIKey is IKSUIISPTFBTTO-UONOGXRCSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13-4-5-16(12-14(13)2)19-11-10-18(3)15-6-8-17-9-7-15/h4-5,12-15,17H,6-11H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine?
N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine has a molecular weight of 264.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 164737027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).