ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate

C9H18N2O3 — CID 59145083

IUPACethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@@H](O)[C@@H](CN)C1
InChIInChI=1S/C9H18N2O3/c1-2-14-9(13)11-4-3-8(12)7(5-10)6-11/h7-8,12H,2-6,10H2,1H3/t7-,8+/m0/s1
InChIKeyYHNMIBWVTQUJTL-JGVFFNPUSA-N
MW202.25 g/mol
LogP-0.22
Rot. Bonds2

About ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate

ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate (PubChem CID 59145083) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
PubChem CID59145083
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@@H](O)[C@@H](CN)C1
InChIInChI=1S/C9H18N2O3/c1-2-14-9(13)11-4-3-8(12)7(5-10)6-11/h7-8,12H,2-6,10H2,1H3/t7-,8+/m0/s1
InChIKeyYHNMIBWVTQUJTL-JGVFFNPUSA-N
XLogP-0.22
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate
CID 162757554
ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate
CID 114506999
ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 54237477
tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate
CID 114452023
1-O-tert-butyl 3-O-ethyl (3S,4R)-4-hydroxypiperidine-1,3-dicarboxylate
CID 10492484
ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate
CID 162757671
tert-butyl 4-(2-ethoxy-2-oxoethyl)-3-hydroxypiperidine-1-carboxylate
CID 156745703
2-ethoxy-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509876
ethyl (3S,4S)-4-azido-3-hydroxypiperidine-1-carboxylate
CID 18643573
tert-butyl 3-(2-ethylsulfanylethyl)-4-hydroxypiperidine-1-carboxylate
CID 114452020
tert-butyl 4-hydroxy-3-(3-methylbutyl)piperidine-1-carboxylate
CID 114451997
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615

Frequently Asked Questions

What is the IUPAC name of ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate (CID 59145083) is ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate is CCOC(=O)N1CC[C@@H](O)[C@@H](CN)C1.
What is the InChIKey of ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate?
The InChIKey is YHNMIBWVTQUJTL-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-14-9(13)11-4-3-8(12)7(5-10)6-11/h7-8,12H,2-6,10H2,1H3/t7-,8+/m0/s1.
What are the key properties of ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate?
ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate has a molecular weight of 202.25 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 59145083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).