(1R,2R)-N,N-diethyl-1-(3-piperazin-1-ylphenoxy)-2,3-dihydro-1H-inden-2-amine

C23H31N3O — CID 58394208

IUPAC(1R,2R)-N,N-diethyl-1-(3-piperazin-1-ylphenoxy)-2,3-dihydro-1H-inden-2-amine
SMILESCCN(CC)[C@@H]1Cc2ccccc2[C@H]1Oc1cccc(N2CCNCC2)c1
InChIInChI=1S/C23H31N3O/c1-3-25(4-2)22-16-18-8-5-6-11-21(18)23(22)27-20-10-7-9-19(17-20)26-14-12-24-13-15-26/h5-11,17,22-24H,3-4,12-16H2,1-2H3/t22-,23-/m1/s1
InChIKeyNLKMVQWXVAAFHM-DHIUTWEWSA-N
MW365.52 g/mol
LogP3.48
Rot. Bonds6

About (1R,2R)-N,N-diethyl-1-(3-piperazin-1-ylphenoxy)-2,3-dihydro-1H-inden-2-amine

(1R,2R)-N,N-diethyl-1-(3-piperazin-1-ylphenoxy)-2,3-dihydro-1H-inden-2-amine (PubChem CID 58394208) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is (1R,2R)-N,N-diethyl-1-(3-piperazin-1-ylphenoxy)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name(1R,2R)-N,N-diethyl-1-(3-piperazin-1-ylphenoxy)-2,3-dihydro-1H-inden-2-amine
PubChem CID58394208
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name(1R,2R)-N,N-diethyl-1-(3-piperazin-1-ylphenoxy)-2,3-dihydro-1H-inden-2-amine
SMILESCCN(CC)[C@@H]1Cc2ccccc2[C@H]1Oc1cccc(N2CCNCC2)c1
InChIInChI=1S/C23H31N3O/c1-3-25(4-2)22-16-18-8-5-6-11-21(18)23(22)27-20-10-7-9-19(17-20)26-14-12-24-13-15-26/h5-11,17,22-24H,3-4,12-16H2,1-2H3/t22-,23-/m1/s1
InChIKeyNLKMVQWXVAAFHM-DHIUTWEWSA-N
XLogP3.48
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethoxyphenyl)piperazine
CID 14519634
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
(3aR,5S,7aS)-7a-methyl-5-[[(1S,2R)-1-(3-piperidin-1-ylphenoxy)-2,3-dihydro-1H-inden-2-yl]methyl]-1,2,3,3a,4,5,6,7-octahydroisoindole
CID 143950557
(1S,2R)-2-(diethylamino)-2,3-dihydro-1H-inden-1-ol
CID 131856725
1-(3-ethylphenyl)piperazine;hydrochloride
CID 19911472
1-(3-prop-2-enoxyphenyl)piperazine
CID 23116631
1-[3-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 121226455
1-(3-pentan-2-yloxyphenyl)-1,4-diazepane
CID 107885904
N-methyl-1-(3-phenylphenoxy)-2,3-dihydro-1H-inden-2-amine
CID 19075653
1-[3-(2-ethylhexoxy)phenyl]piperazine
CID 63459959
1-[2-[(3-methoxyphenoxy)methyl]phenyl]piperazine
CID 53304148
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-N,N-diethyl-1-(3-piperazin-1-ylphenoxy)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of (1R,2R)-N,N-diethyl-1-(3-piperazin-1-ylphenoxy)-2,3-dihydro-1H-inden-2-amine (CID 58394208) is (1R,2R)-N,N-diethyl-1-(3-piperazin-1-ylphenoxy)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for (1R,2R)-N,N-diethyl-1-(3-piperazin-1-ylphenoxy)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for (1R,2R)-N,N-diethyl-1-(3-piperazin-1-ylphenoxy)-2,3-dihydro-1H-inden-2-amine is CCN(CC)[C@@H]1Cc2ccccc2[C@H]1Oc1cccc(N2CCNCC2)c1.
What is the InChIKey of (1R,2R)-N,N-diethyl-1-(3-piperazin-1-ylphenoxy)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is NLKMVQWXVAAFHM-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H31N3O/c1-3-25(4-2)22-16-18-8-5-6-11-21(18)23(22)27-20-10-7-9-19(17-20)26-14-12-24-13-15-26/h5-11,17,22-24H,3-4,12-16H2,1-2H3/t22-,23-/m1/s1.
What are the key properties of (1R,2R)-N,N-diethyl-1-(3-piperazin-1-ylphenoxy)-2,3-dihydro-1H-inden-2-amine?
(1R,2R)-N,N-diethyl-1-(3-piperazin-1-ylphenoxy)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 365.52 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-N,N-diethyl-1-(3-piperazin-1-ylphenoxy)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 58394208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).