4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid

C12H23N3O2 — CID 170432830

IUPAC4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid
SMILESC[C@H](C1CCN(C(=O)O)CC1)N1CCNCC1
InChIInChI=1S/C12H23N3O2/c1-10(14-8-4-13-5-9-14)11-2-6-15(7-3-11)12(16)17/h10-11,13H,2-9H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyJNVBMNGAUSAWGD-SNVBAGLBSA-N
MW241.33 g/mol
LogP0.67
Rot. Bonds2

About 4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid

4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid (PubChem CID 170432830) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid
PubChem CID170432830
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid
SMILESC[C@H](C1CCN(C(=O)O)CC1)N1CCNCC1
InChIInChI=1S/C12H23N3O2/c1-10(14-8-4-13-5-9-14)11-2-6-15(7-3-11)12(16)17/h10-11,13H,2-9H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyJNVBMNGAUSAWGD-SNVBAGLBSA-N
XLogP0.67
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid
CID 170432681
4-(1-piperazin-1-ylethyl)azepane
CID 82394500
1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione
CID 103500750
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946
4-(1-bromoethyl)piperidine-1-carboxylic acid
CID 22936412
1-[1-(azetidin-3-yl)ethyl]piperazine
CID 173074477
ethane;propan-2-yl piperazine-1-carboxylate
CID 142145252
1-[4-(1-cyclopropylethyl)piperazin-1-yl]ethanone
CID 110708739
2-[4-(1-cyclopropylethyl)piperazin-1-yl]propanoic acid
CID 65062404
bis(4-(1-pyrrolidin-1-ylethyl)piperidine);hydrate;tetrahydrochloride
CID 53398924
4-[methyl(propan-2-yl)amino]piperidine-1-carboxylic acid
CID 22047993
2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103812458

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid (CID 170432830) is 4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid is C[C@H](C1CCN(C(=O)O)CC1)N1CCNCC1.
What is the InChIKey of 4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid?
The InChIKey is JNVBMNGAUSAWGD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10(14-8-4-13-5-9-14)11-2-6-15(7-3-11)12(16)17/h10-11,13H,2-9H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of 4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid?
4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-piperazin-1-ylethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 170432830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).