tert-butyl 4-(2-hydroxyethyl)-4-[(2S)-2-hydroxypropyl]piperidine-1-carboxylate

C15H29NO4 — CID 162481650

IUPACtert-butyl 4-(2-hydroxyethyl)-4-[(2S)-2-hydroxypropyl]piperidine-1-carboxylate
SMILESC[C@H](O)CC1(CCO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29NO4/c1-12(18)11-15(7-10-17)5-8-16(9-6-15)13(19)20-14(2,3)4/h12,17-18H,5-11H2,1-4H3/t12-/m0/s1
InChIKeyGMIFQYMWOXNEHZ-LBPRGKRZSA-N
MW287.40 g/mol
LogP2.16
Rot. Bonds4

About tert-butyl 4-(2-hydroxyethyl)-4-[(2S)-2-hydroxypropyl]piperidine-1-carboxylate

tert-butyl 4-(2-hydroxyethyl)-4-[(2S)-2-hydroxypropyl]piperidine-1-carboxylate (PubChem CID 162481650) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is tert-butyl 4-(2-hydroxyethyl)-4-[(2S)-2-hydroxypropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-hydroxyethyl)-4-[(2S)-2-hydroxypropyl]piperidine-1-carboxylate
PubChem CID162481650
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nametert-butyl 4-(2-hydroxyethyl)-4-[(2S)-2-hydroxypropyl]piperidine-1-carboxylate
SMILESC[C@H](O)CC1(CCO)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29NO4/c1-12(18)11-15(7-10-17)5-8-16(9-6-15)13(19)20-14(2,3)4/h12,17-18H,5-11H2,1-4H3/t12-/m0/s1
InChIKeyGMIFQYMWOXNEHZ-LBPRGKRZSA-N
XLogP2.16
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydroxyethyl)-4-[(2S)-2-hydroxypropyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-hydroxyethyl)-4-[(2S)-2-hydroxypropyl]piperidine-1-carboxylate (CID 162481650) is tert-butyl 4-(2-hydroxyethyl)-4-[(2S)-2-hydroxypropyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-hydroxyethyl)-4-[(2S)-2-hydroxypropyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-hydroxyethyl)-4-[(2S)-2-hydroxypropyl]piperidine-1-carboxylate is C[C@H](O)CC1(CCO)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-hydroxyethyl)-4-[(2S)-2-hydroxypropyl]piperidine-1-carboxylate?
The InChIKey is GMIFQYMWOXNEHZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H29NO4/c1-12(18)11-15(7-10-17)5-8-16(9-6-15)13(19)20-14(2,3)4/h12,17-18H,5-11H2,1-4H3/t12-/m0/s1.
What are the key properties of tert-butyl 4-(2-hydroxyethyl)-4-[(2S)-2-hydroxypropyl]piperidine-1-carboxylate?
tert-butyl 4-(2-hydroxyethyl)-4-[(2S)-2-hydroxypropyl]piperidine-1-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydroxyethyl)-4-[(2S)-2-hydroxypropyl]piperidine-1-carboxylate is sourced from PubChem (CID 162481650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).