[4-(benzylamino)-2-ethylpiperidin-1-yl] 2,2-dimethylpropanoate

C19H30N2O2 — CID 174584882

IUPAC[4-(benzylamino)-2-ethylpiperidin-1-yl] 2,2-dimethylpropanoate
SMILESCCC1CC(NCc2ccccc2)CCN1OC(=O)C(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-5-17-13-16(20-14-15-9-7-6-8-10-15)11-12-21(17)23-18(22)19(2,3)4/h6-10,16-17,20H,5,11-14H2,1-4H3
InChIKeyLFCUAMCHDFDBDP-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.52
Rot. Bonds5

About [4-(benzylamino)-2-ethylpiperidin-1-yl] 2,2-dimethylpropanoate

[4-(benzylamino)-2-ethylpiperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174584882) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is [4-(benzylamino)-2-ethylpiperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(benzylamino)-2-ethylpiperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174584882
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name[4-(benzylamino)-2-ethylpiperidin-1-yl] 2,2-dimethylpropanoate
SMILESCCC1CC(NCc2ccccc2)CCN1OC(=O)C(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-5-17-13-16(20-14-15-9-7-6-8-10-15)11-12-21(17)23-18(22)19(2,3)4/h6-10,16-17,20H,5,11-14H2,1-4H3
InChIKeyLFCUAMCHDFDBDP-UHFFFAOYSA-N
XLogP3.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(benzylamino)piperidine-1-carbonyl]pyrrol-1-yl] 2,2-dimethylpropanoate
CID 174684124
methyl 3-(benzylamino)cyclopentane-1-carboxylate
CID 67382791
methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate
CID 54515313
(4-benzyl-2-methylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 175316100
(5-benzyl-2-ethyl-4-oxopiperidin-1-yl) 2,2-dimethylpropanoate
CID 174584805
tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 146439320
[(3R)-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174824904
4-(benzylamino)piperidine-1-carboxamide
CID 43757030
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
methyl (4aS,8aR)-6-(benzylamino)-2-[(2-methylpropan-2-yl)oxy]-1-(oxomethylidene)-4,4a,5,6,7,8-hexahydro-3H-isoquinoline-8a-carboxylate
CID 143776857
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640

Frequently Asked Questions

What is the IUPAC name of [4-(benzylamino)-2-ethylpiperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(benzylamino)-2-ethylpiperidin-1-yl] 2,2-dimethylpropanoate (CID 174584882) is [4-(benzylamino)-2-ethylpiperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(benzylamino)-2-ethylpiperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(benzylamino)-2-ethylpiperidin-1-yl] 2,2-dimethylpropanoate is CCC1CC(NCc2ccccc2)CCN1OC(=O)C(C)(C)C.
What is the InChIKey of [4-(benzylamino)-2-ethylpiperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is LFCUAMCHDFDBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-17-13-16(20-14-15-9-7-6-8-10-15)11-12-21(17)23-18(22)19(2,3)4/h6-10,16-17,20H,5,11-14H2,1-4H3.
What are the key properties of [4-(benzylamino)-2-ethylpiperidin-1-yl] 2,2-dimethylpropanoate?
[4-(benzylamino)-2-ethylpiperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 318.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzylamino)-2-ethylpiperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174584882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).