1-(3-methoxy-3-methylbutyl)-4-propylpiperidine-4-carboxylic acid

C15H29NO3 — CID 103034698

IUPAC1-(3-methoxy-3-methylbutyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCC(C)(C)OC)CC1
InChIInChI=1S/C15H29NO3/c1-5-6-15(13(17)18)8-11-16(12-9-15)10-7-14(2,3)19-4/h5-12H2,1-4H3,(H,17,18)
InChIKeyFLNMXYWOBWTALX-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.77
Rot. Bonds7

About 1-(3-methoxy-3-methylbutyl)-4-propylpiperidine-4-carboxylic acid

1-(3-methoxy-3-methylbutyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 103034698) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID103034698
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name1-(3-methoxy-3-methylbutyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCC(C)(C)OC)CC1
InChIInChI=1S/C15H29NO3/c1-5-6-15(13(17)18)8-11-16(12-9-15)10-7-14(2,3)19-4/h5-12H2,1-4H3,(H,17,18)
InChIKeyFLNMXYWOBWTALX-UHFFFAOYSA-N
XLogP2.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)-4-propylpiperidine-4-carboxylic acid (CID 103034698) is 1-(3-methoxy-3-methylbutyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(CCC(C)(C)OC)CC1.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is FLNMXYWOBWTALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-5-6-15(13(17)18)8-11-16(12-9-15)10-7-14(2,3)19-4/h5-12H2,1-4H3,(H,17,18).
What are the key properties of 1-(3-methoxy-3-methylbutyl)-4-propylpiperidine-4-carboxylic acid?
1-(3-methoxy-3-methylbutyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 271.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 103034698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).