1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-methoxypropan-2-amine

C18H28N2O — CID 122573471

IUPAC1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-methoxypropan-2-amine
SMILESCOCC(N)CC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C18H28N2O/c1-21-13-17(19)9-14-5-4-8-20(12-14)18-10-15-6-2-3-7-16(15)11-18/h2-3,6-7,14,17-18H,4-5,8-13,19H2,1H3
InChIKeyXSVCIRHOVCWEFU-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.23
Rot. Bonds5

About 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-methoxypropan-2-amine

1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-methoxypropan-2-amine (PubChem CID 122573471) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-methoxypropan-2-amine
PubChem CID122573471
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-methoxypropan-2-amine
SMILESCOCC(N)CC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C18H28N2O/c1-21-13-17(19)9-14-5-4-8-20(12-14)18-10-15-6-2-3-7-16(15)11-18/h2-3,6-7,14,17-18H,4-5,8-13,19H2,1H3
InChIKeyXSVCIRHOVCWEFU-UHFFFAOYSA-N
XLogP2.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
CID 2245144
N-[3-[(3S)-oxolan-3-yl]propyl]-2,3-dihydro-1H-inden-2-amine
CID 95138297
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-3-methoxypropan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 122573461
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-methoxypropan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 122573470
2-[Cyclopentyl(phenyl)methyl]-3-methoxypiperidine
CID 209512
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915385
N-(2,3-dihydro-1H-inden-2-yl)-2-fluorooxan-3-amine
CID 126857103
(cyclopentylmethyl){[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}(2-methoxyethyl)amine
CID 45187402
N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)tetrahydro-2H-pyran-4-amine
CID 45244656
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(2-methoxyethyl)azanium
CID 28305789
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 28305790
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 45075084

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-methoxypropan-2-amine?
The IUPAC name of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-methoxypropan-2-amine (CID 122573471) is 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-methoxypropan-2-amine.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-methoxypropan-2-amine?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-methoxypropan-2-amine is COCC(N)CC1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-methoxypropan-2-amine?
The InChIKey is XSVCIRHOVCWEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-21-13-17(19)9-14-5-4-8-20(12-14)18-10-15-6-2-3-7-16(15)11-18/h2-3,6-7,14,17-18H,4-5,8-13,19H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-methoxypropan-2-amine?
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-methoxypropan-2-amine has a molecular weight of 288.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-methoxypropan-2-amine is sourced from PubChem (CID 122573471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).