2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid

C13H26N2O3 — CID 83991296

IUPAC2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid
SMILESCCCNC1CC(C(O)CC)CN(CC(=O)O)C1
InChIInChI=1S/C13H26N2O3/c1-3-5-14-11-6-10(12(16)4-2)7-15(8-11)9-13(17)18/h10-12,14,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyZDYMUCZILUYTQS-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.53
Rot. Bonds7

About 2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid

2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid (PubChem CID 83991296) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid
PubChem CID83991296
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid
SMILESCCCNC1CC(C(O)CC)CN(CC(=O)O)C1
InChIInChI=1S/C13H26N2O3/c1-3-5-14-11-6-10(12(16)4-2)7-15(8-11)9-13(17)18/h10-12,14,16H,3-9H2,1-2H3,(H,17,18)
InChIKeyZDYMUCZILUYTQS-UHFFFAOYSA-N
XLogP0.53
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate
CID 83990952
2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
CID 83996085
2-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]acetic acid
CID 83989413
1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol
CID 83991148
1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 112541586
1-[1-ethyl-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990205
N-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide
CID 112542596
2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid
CID 83998151
1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990763
methyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543103
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544837
3-(cyclopentylmethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide
CID 83997808

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid (CID 83991296) is 2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid is CCCNC1CC(C(O)CC)CN(CC(=O)O)C1.
What is the InChIKey of 2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid?
The InChIKey is ZDYMUCZILUYTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-5-14-11-6-10(12(16)4-2)7-15(8-11)9-13(17)18/h10-12,14,16H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid?
2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid has a molecular weight of 258.36 g/mol, XLogP of 0.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid is sourced from PubChem (CID 83991296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).