N,N-dimethyl-1-[3-(oxan-4-ylamino)phenyl]piperidin-4-amine

C18H29N3O — CID 141355908

IUPACN,N-dimethyl-1-[3-(oxan-4-ylamino)phenyl]piperidin-4-amine
SMILESCN(C)C1CCN(c2cccc(NC3CCOCC3)c2)CC1
InChIInChI=1S/C18H29N3O/c1-20(2)17-6-10-21(11-7-17)18-5-3-4-16(14-18)19-15-8-12-22-13-9-15/h3-5,14-15,17,19H,6-13H2,1-2H3
InChIKeyPGHJRFGGBYMTKN-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.81
Rot. Bonds4

About N,N-dimethyl-1-[3-(oxan-4-ylamino)phenyl]piperidin-4-amine

N,N-dimethyl-1-[3-(oxan-4-ylamino)phenyl]piperidin-4-amine (PubChem CID 141355908) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(oxan-4-ylamino)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(oxan-4-ylamino)phenyl]piperidin-4-amine
PubChem CID141355908
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN,N-dimethyl-1-[3-(oxan-4-ylamino)phenyl]piperidin-4-amine
SMILESCN(C)C1CCN(c2cccc(NC3CCOCC3)c2)CC1
InChIInChI=1S/C18H29N3O/c1-20(2)17-6-10-21(11-7-17)18-5-3-4-16(14-18)19-15-8-12-22-13-9-15/h3-5,14-15,17,19H,6-13H2,1-2H3
InChIKeyPGHJRFGGBYMTKN-UHFFFAOYSA-N
XLogP2.81
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(tetrazol-1-yl)phenyl]oxan-4-amine
CID 43683923
3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline
CID 75497897
1-methyl-N-(3-pyrrolidin-1-ylphenyl)azepan-4-amine
CID 65070389
N-(3-bromophenyl)oxan-4-amine
CID 43608425
3-[(1-phenylpiperidin-4-yl)amino]benzoic acid
CID 164589789
4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine
CID 65083445
N-ethyl-3-morpholin-4-ylaniline
CID 22605665
N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine
CID 59597620
N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 79730271
(3R)-3-(3-morpholin-4-ylanilino)-1-phenylpyrrolidin-2-one
CID 95255148
1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine
CID 80560827
N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 60942193

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(oxan-4-ylamino)phenyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[3-(oxan-4-ylamino)phenyl]piperidin-4-amine (CID 141355908) is N,N-dimethyl-1-[3-(oxan-4-ylamino)phenyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[3-(oxan-4-ylamino)phenyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[3-(oxan-4-ylamino)phenyl]piperidin-4-amine is CN(C)C1CCN(c2cccc(NC3CCOCC3)c2)CC1.
What is the InChIKey of N,N-dimethyl-1-[3-(oxan-4-ylamino)phenyl]piperidin-4-amine?
The InChIKey is PGHJRFGGBYMTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-20(2)17-6-10-21(11-7-17)18-5-3-4-16(14-18)19-15-8-12-22-13-9-15/h3-5,14-15,17,19H,6-13H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[3-(oxan-4-ylamino)phenyl]piperidin-4-amine?
N,N-dimethyl-1-[3-(oxan-4-ylamino)phenyl]piperidin-4-amine has a molecular weight of 303.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(oxan-4-ylamino)phenyl]piperidin-4-amine is sourced from PubChem (CID 141355908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).