methyl (3R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]piperidine-1-carboxylate

C16H24N2O3 — CID 97231311

IUPACmethyl (3R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@@H](N[C@H](C)c2ccc(OC)cc2)C1
InChIInChI=1S/C16H24N2O3/c1-12(13-6-8-15(20-2)9-7-13)17-14-5-4-10-18(11-14)16(19)21-3/h6-9,12,14,17H,4-5,10-11H2,1-3H3/t12-,14-/m1/s1
InChIKeyUXTOEIXKOOMSFG-TZMCWYRMSA-N
MW292.38 g/mol
LogP2.58
Rot. Bonds4

About methyl (3R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]piperidine-1-carboxylate

methyl (3R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]piperidine-1-carboxylate (PubChem CID 97231311) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl (3R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]piperidine-1-carboxylate
PubChem CID97231311
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl (3R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@@H](N[C@H](C)c2ccc(OC)cc2)C1
InChIInChI=1S/C16H24N2O3/c1-12(13-6-8-15(20-2)9-7-13)17-14-5-4-10-18(11-14)16(19)21-3/h6-9,12,14,17H,4-5,10-11H2,1-3H3/t12-,14-/m1/s1
InChIKeyUXTOEIXKOOMSFG-TZMCWYRMSA-N
XLogP2.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(1-thiophen-2-ylethylamino)piperidine-1-carboxylate
CID 84588214
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate
CID 174899378
3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066346
methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394724
N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 81370566
(3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide
CID 99970387
N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
CID 66244684
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81370708
N-[1-(4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81333341
tert-butyl 3-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carboxylate
CID 73304645

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]piperidine-1-carboxylate?
The IUPAC name of methyl (3R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]piperidine-1-carboxylate (CID 97231311) is methyl (3R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl (3R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for methyl (3R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]piperidine-1-carboxylate is COC(=O)N1CCC[C@@H](N[C@H](C)c2ccc(OC)cc2)C1.
What is the InChIKey of methyl (3R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]piperidine-1-carboxylate?
The InChIKey is UXTOEIXKOOMSFG-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(13-6-8-15(20-2)9-7-13)17-14-5-4-10-18(11-14)16(19)21-3/h6-9,12,14,17H,4-5,10-11H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of methyl (3R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]piperidine-1-carboxylate?
methyl (3R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]piperidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 97231311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).