tert-butyl 4-(cyclopropylmethyl)-4-(1-hydroxyethenyl)piperidine-1-carboxylate

C16H27NO3 — CID 89278130

IUPACtert-butyl 4-(cyclopropylmethyl)-4-(1-hydroxyethenyl)piperidine-1-carboxylate
SMILESC=C(O)C1(CC2CC2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H27NO3/c1-12(18)16(11-13-5-6-13)7-9-17(10-8-16)14(19)20-15(2,3)4/h13,18H,1,5-11H2,2-4H3
InChIKeyACFNCMWWLOYNQA-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.88
Rot. Bonds3

About tert-butyl 4-(cyclopropylmethyl)-4-(1-hydroxyethenyl)piperidine-1-carboxylate

tert-butyl 4-(cyclopropylmethyl)-4-(1-hydroxyethenyl)piperidine-1-carboxylate (PubChem CID 89278130) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is tert-butyl 4-(cyclopropylmethyl)-4-(1-hydroxyethenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(cyclopropylmethyl)-4-(1-hydroxyethenyl)piperidine-1-carboxylate
PubChem CID89278130
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nametert-butyl 4-(cyclopropylmethyl)-4-(1-hydroxyethenyl)piperidine-1-carboxylate
SMILESC=C(O)C1(CC2CC2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H27NO3/c1-12(18)16(11-13-5-6-13)7-9-17(10-8-16)14(19)20-15(2,3)4/h13,18H,1,5-11H2,2-4H3
InChIKeyACFNCMWWLOYNQA-UHFFFAOYSA-N
XLogP3.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(cyclopropylmethyl)-4-(1-hydroxyethenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(cyclopropylmethyl)-4-(1-hydroxyethenyl)piperidine-1-carboxylate (CID 89278130) is tert-butyl 4-(cyclopropylmethyl)-4-(1-hydroxyethenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(cyclopropylmethyl)-4-(1-hydroxyethenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(cyclopropylmethyl)-4-(1-hydroxyethenyl)piperidine-1-carboxylate is C=C(O)C1(CC2CC2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(cyclopropylmethyl)-4-(1-hydroxyethenyl)piperidine-1-carboxylate?
The InChIKey is ACFNCMWWLOYNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12(18)16(11-13-5-6-13)7-9-17(10-8-16)14(19)20-15(2,3)4/h13,18H,1,5-11H2,2-4H3.
What are the key properties of tert-butyl 4-(cyclopropylmethyl)-4-(1-hydroxyethenyl)piperidine-1-carboxylate?
tert-butyl 4-(cyclopropylmethyl)-4-(1-hydroxyethenyl)piperidine-1-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(cyclopropylmethyl)-4-(1-hydroxyethenyl)piperidine-1-carboxylate is sourced from PubChem (CID 89278130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).