4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylic acid

C10H17N3O3 — CID 174427602

IUPAC4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylic acid
SMILESN#CCCNCC1(O)CCN(C(=O)O)CC1
InChIInChI=1S/C10H17N3O3/c11-4-1-5-12-8-10(16)2-6-13(7-3-10)9(14)15/h12,16H,1-3,5-8H2,(H,14,15)
InChIKeyGITQCEQLNQQMKX-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.01
Rot. Bonds4

About 4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylic acid

4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 174427602) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylic acid
PubChem CID174427602
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylic acid
SMILESN#CCCNCC1(O)CCN(C(=O)O)CC1
InChIInChI=1S/C10H17N3O3/c11-4-1-5-12-8-10(16)2-6-13(7-3-10)9(14)15/h12,16H,1-3,5-8H2,(H,14,15)
InChIKeyGITQCEQLNQQMKX-UHFFFAOYSA-N
XLogP-0.01
TPSA96.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyanomethyl)-4-ethylpiperidine-1-carboxylic acid
CID 66661129
1-[4-hydroxy-4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 39371901
tert-butyl 4-hydroxy-4-(propylaminomethyl)piperidine-1-carboxylate
CID 90021748
5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile
CID 65123008
2-tert-butyl-2-(cyanomethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 155438562
4-cyano-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylic acid
CID 118238467
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile
CID 81130543
sodium;2-(2-cyanoethylamino)acetic acid;hydride
CID 173295296
3-(2-cyanoethylamino)propanenitrile
CID 160846337
tert-butyl 4-[(4-aminobutylamino)methyl]-4-hydroxypiperidine-1-carboxylate
CID 126847200
N-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
CID 107163698

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylic acid (CID 174427602) is 4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylic acid is N#CCCNCC1(O)CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylic acid?
The InChIKey is GITQCEQLNQQMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c11-4-1-5-12-8-10(16)2-6-13(7-3-10)9(14)15/h12,16H,1-3,5-8H2,(H,14,15).
What are the key properties of 4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylic acid?
4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 174427602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).