N-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine

C21H32N2O — CID 129436285

IUPACN-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
SMILESCc1ccc2c(c1)[C@H](NC1CCN(C[C@H]3CCOC3)CC1)[C@H](C)C2
InChIInChI=1S/C21H32N2O/c1-15-3-4-18-12-16(2)21(20(18)11-15)22-19-5-8-23(9-6-19)13-17-7-10-24-14-17/h3-4,11,16-17,19,21-22H,5-10,12-14H2,1-2H3/t16-,17-,21-/m1/s1
InChIKeyNMWRACKFUNUYRX-CBGDNZLLSA-N
MW328.50 g/mol
LogP3.32
Rot. Bonds4

About N-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine

N-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine (PubChem CID 129436285) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
PubChem CID129436285
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC NameN-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
SMILESCc1ccc2c(c1)[C@H](NC1CCN(C[C@H]3CCOC3)CC1)[C@H](C)C2
InChIInChI=1S/C21H32N2O/c1-15-3-4-18-12-16(2)21(20(18)11-15)22-19-5-8-23(9-6-19)13-17-7-10-24-14-17/h3-4,11,16-17,19,21-22H,5-10,12-14H2,1-2H3/t16-,17-,21-/m1/s1
InChIKeyNMWRACKFUNUYRX-CBGDNZLLSA-N
XLogP3.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine with MolForge

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Related Compounds

2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide
CID 95631988
4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine
CID 155201522
3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide
CID 95631970
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 97232289
4,6-dimethyl-1-(oxolan-3-ylmethyl)-1,5-diazocane
CID 62824730
3-methyl-1-(oxolan-3-ylmethyl)piperidin-4-ol
CID 114502613
N-[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 97322617
3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine
CID 133305164
N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methanesulfonamide
CID 95141176
4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid
CID 70788551
5-methyl-2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]oxypyridine
CID 75484483
(1S,2R)-6-bromo-2-methyl-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]-2,3-dihydro-1H-inden-1-amine
CID 98854990

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine?
The IUPAC name of N-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine (CID 129436285) is N-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for N-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine is Cc1ccc2c(c1)[C@H](NC1CCN(C[C@H]3CCOC3)CC1)[C@H](C)C2.
What is the InChIKey of N-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine?
The InChIKey is NMWRACKFUNUYRX-CBGDNZLLSA-N. The full InChI is InChI=1S/C21H32N2O/c1-15-3-4-18-12-16(2)21(20(18)11-15)22-19-5-8-23(9-6-19)13-17-7-10-24-14-17/h3-4,11,16-17,19,21-22H,5-10,12-14H2,1-2H3/t16-,17-,21-/m1/s1.
What are the key properties of N-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine?
N-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine has a molecular weight of 328.50 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 129436285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).