3-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid

C14H26N2O3 — CID 82776307

IUPAC3-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
SMILESO=C(O)CC(O)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H26N2O3/c17-13(10-14(18)19)11-15-8-4-12(5-9-15)16-6-2-1-3-7-16/h12-13,17H,1-11H2,(H,18,19)
InChIKeyQSGOOYDPSXXOII-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.77
Rot. Bonds5

About 3-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid

3-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid (PubChem CID 82776307) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
PubChem CID82776307
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
SMILESO=C(O)CC(O)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H26N2O3/c17-13(10-14(18)19)11-15-8-4-12(5-9-15)16-6-2-1-3-7-16/h12-13,17H,1-11H2,(H,18,19)
InChIKeyQSGOOYDPSXXOII-UHFFFAOYSA-N
XLogP0.77
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Hydroxy-1,4'-bipiperidin-1'-yl)acetic acid
CID 56707865
2-[4-[(4-Propan-2-ylmorpholin-2-yl)methyl]morpholin-2-yl]acetic acid
CID 66433676
2-[4-(2-Piperidin-1-ylethyl)morpholin-2-yl]acetic acid
CID 66434071
2-[4-(1-Propylpiperidin-4-yl)morpholin-2-yl]acetic acid
CID 66434708
2-[4-(1-Methylpiperidin-4-yl)morpholin-2-yl]acetic acid
CID 66435294
2-[4-[2-(1-Methylpiperidin-2-yl)ethyl]morpholin-2-yl]acetic acid
CID 66435429
2-[4-(1-Propan-2-ylpiperidin-4-yl)morpholin-2-yl]acetic acid
CID 66435863
2-[4-(1-Ethylpiperidin-4-yl)morpholin-2-yl]acetic acid
CID 66435884
3-Hydroxy-4-piperidin-1-ylbutanoic acid
CID 79006807
2-[4-(1,2-Dimethylpiperidin-4-yl)morpholin-2-yl]acetic acid
CID 81613020
2-[4-(1-Methylpiperidin-3-yl)morpholin-2-yl]acetic acid
CID 81715390
4-[(1-Ethylpiperidin-4-yl)-methylamino]-3-hydroxybutanoic acid
CID 82768789

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
The IUPAC name of 3-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid (CID 82776307) is 3-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 3-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 3-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid is O=C(O)CC(O)CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 3-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
The InChIKey is QSGOOYDPSXXOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c17-13(10-14(18)19)11-15-8-4-12(5-9-15)16-6-2-1-3-7-16/h12-13,17H,1-11H2,(H,18,19).
What are the key properties of 3-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
3-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 82776307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).