3-(dimethylamino)propyl 2-(1-hydroxyethyl)piperidine-1-carboxylate

C13H26N2O3 — CID 18789373

IUPAC3-(dimethylamino)propyl 2-(1-hydroxyethyl)piperidine-1-carboxylate
SMILESCC(O)C1CCCCN1C(=O)OCCCN(C)C
InChIInChI=1S/C13H26N2O3/c1-11(16)12-7-4-5-9-15(12)13(17)18-10-6-8-14(2)3/h11-12,16H,4-10H2,1-3H3
InChIKeyYKZRPTMBAQQEQD-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.31
Rot. Bonds5

About 3-(dimethylamino)propyl 2-(1-hydroxyethyl)piperidine-1-carboxylate

3-(dimethylamino)propyl 2-(1-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 18789373) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(dimethylamino)propyl 2-(1-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name3-(dimethylamino)propyl 2-(1-hydroxyethyl)piperidine-1-carboxylate
PubChem CID18789373
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-(dimethylamino)propyl 2-(1-hydroxyethyl)piperidine-1-carboxylate
SMILESCC(O)C1CCCCN1C(=O)OCCCN(C)C
InChIInChI=1S/C13H26N2O3/c1-11(16)12-7-4-5-9-15(12)13(17)18-10-6-8-14(2)3/h11-12,16H,4-10H2,1-3H3
InChIKeyYKZRPTMBAQQEQD-UHFFFAOYSA-N
XLogP1.31
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl 2-(1-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of 3-(dimethylamino)propyl 2-(1-hydroxyethyl)piperidine-1-carboxylate (CID 18789373) is 3-(dimethylamino)propyl 2-(1-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for 3-(dimethylamino)propyl 2-(1-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for 3-(dimethylamino)propyl 2-(1-hydroxyethyl)piperidine-1-carboxylate is CC(O)C1CCCCN1C(=O)OCCCN(C)C.
What is the InChIKey of 3-(dimethylamino)propyl 2-(1-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is YKZRPTMBAQQEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11(16)12-7-4-5-9-15(12)13(17)18-10-6-8-14(2)3/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 3-(dimethylamino)propyl 2-(1-hydroxyethyl)piperidine-1-carboxylate?
3-(dimethylamino)propyl 2-(1-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl 2-(1-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 18789373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).