N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine

C18H30N2O — CID 19085410

IUPACN,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine
SMILESCN(C)CCC1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C18H30N2O/c1-19(2)13-9-17-10-14-20(15-11-17)12-6-16-21-18-7-4-3-5-8-18/h3-5,7-8,17H,6,9-16H2,1-2H3
InChIKeyFURBIELZJNGQHS-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.12
Rot. Bonds8

About N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine

N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine (PubChem CID 19085410) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine
PubChem CID19085410
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine
SMILESCN(C)CCC1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C18H30N2O/c1-19(2)13-9-17-10-14-20(15-11-17)12-6-16-21-18-7-4-3-5-8-18/h3-5,7-8,17H,6,9-16H2,1-2H3
InChIKeyFURBIELZJNGQHS-UHFFFAOYSA-N
XLogP3.12
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine
CID 19085444
N,N-dimethyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 19085451
4-[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]ethoxy]benzonitrile
CID 60543115
3-ethyl-1-(3-phenoxypropyl)pyrrolidine
CID 126692357
1-[4-[3-[1-(3-phenoxypropyl)piperidin-4-yl]propoxy]phenyl]ethanimine
CID 143655823
4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine
CID 82702024
4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
CID 153398685
1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride
CID 117067777
3-(3-phenoxypropyl)-3-azabicyclo[3.2.2]nonane
CID 97356188
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593626
4-[3-[4-[2-(dimethylamino)ethoxy-diphenylmethyl]piperidin-1-yl]propoxy]benzonitrile
CID 86582279

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine (CID 19085410) is N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine is CN(C)CCC1CCN(CCCOc2ccccc2)CC1.
What is the InChIKey of N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine?
The InChIKey is FURBIELZJNGQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-19(2)13-9-17-10-14-20(15-11-17)12-6-16-21-18-7-4-3-5-8-18/h3-5,7-8,17H,6,9-16H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine?
N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 19085410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).