1-[1-(6-hydroxyhexyl)piperidin-4-yl]pyrrole-2-carboxylic acid

C16H26N2O3 — CID 107704534

IUPAC1-[1-(6-hydroxyhexyl)piperidin-4-yl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1C1CCN(CCCCCCO)CC1
InChIInChI=1S/C16H26N2O3/c19-13-4-2-1-3-9-17-11-7-14(8-12-17)18-10-5-6-15(18)16(20)21/h5-6,10,14,19H,1-4,7-9,11-13H2,(H,20,21)
InChIKeyUJFMDAQEOSRFAP-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.38
Rot. Bonds8

About 1-[1-(6-hydroxyhexyl)piperidin-4-yl]pyrrole-2-carboxylic acid

1-[1-(6-hydroxyhexyl)piperidin-4-yl]pyrrole-2-carboxylic acid (PubChem CID 107704534) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[1-(6-hydroxyhexyl)piperidin-4-yl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(6-hydroxyhexyl)piperidin-4-yl]pyrrole-2-carboxylic acid
PubChem CID107704534
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-[1-(6-hydroxyhexyl)piperidin-4-yl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1C1CCN(CCCCCCO)CC1
InChIInChI=1S/C16H26N2O3/c19-13-4-2-1-3-9-17-11-7-14(8-12-17)18-10-5-6-15(18)16(20)21/h5-6,10,14,19H,1-4,7-9,11-13H2,(H,20,21)
InChIKeyUJFMDAQEOSRFAP-UHFFFAOYSA-N
XLogP2.38
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-(6-hydroxyhexyl)piperidin-4-yl]pyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 64565711
1-[1-(2-propoxyethyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 106454671
1-[1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-yl]pyrrole-2-carboxylic acid
CID 116616780
1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 55103689
1-(1-but-2-ynylpiperidin-4-yl)pyrrole-2-carboxylic acid
CID 62717271
1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 55103542
1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 115979097
1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid
CID 62716926
1-[1-(butylcarbamoyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 62715725
N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide
CID 102866070
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 65072032

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-hydroxyhexyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[1-(6-hydroxyhexyl)piperidin-4-yl]pyrrole-2-carboxylic acid (CID 107704534) is 1-[1-(6-hydroxyhexyl)piperidin-4-yl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[1-(6-hydroxyhexyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[1-(6-hydroxyhexyl)piperidin-4-yl]pyrrole-2-carboxylic acid is O=C(O)c1cccn1C1CCN(CCCCCCO)CC1.
What is the InChIKey of 1-[1-(6-hydroxyhexyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
The InChIKey is UJFMDAQEOSRFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-13-4-2-1-3-9-17-11-7-14(8-12-17)18-10-5-6-15(18)16(20)21/h5-6,10,14,19H,1-4,7-9,11-13H2,(H,20,21).
What are the key properties of 1-[1-(6-hydroxyhexyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
1-[1-(6-hydroxyhexyl)piperidin-4-yl]pyrrole-2-carboxylic acid has a molecular weight of 294.40 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-hydroxyhexyl)piperidin-4-yl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 107704534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).