tert-butyl 4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine-1-carboxylate

C18H34N2O3 — CID 91258385

IUPACtert-butyl 4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine-1-carboxylate
SMILESCC(C)N1CCC(OC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O3/c1-14(2)19-10-6-15(7-11-19)22-16-8-12-20(13-9-16)17(21)23-18(3,4)5/h14-16H,6-13H2,1-5H3
InChIKeyKDHKSEPUCLOQCE-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.28
Rot. Bonds3

About tert-butyl 4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine-1-carboxylate

tert-butyl 4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine-1-carboxylate (PubChem CID 91258385) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl 4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine-1-carboxylate
PubChem CID91258385
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl 4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine-1-carboxylate
SMILESCC(C)N1CCC(OC2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C18H34N2O3/c1-14(2)19-10-6-15(7-11-19)22-16-8-12-20(13-9-16)17(21)23-18(3,4)5/h14-16H,6-13H2,1-5H3
InChIKeyKDHKSEPUCLOQCE-UHFFFAOYSA-N
XLogP3.28
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine-1-carboxylate (CID 91258385) is tert-butyl 4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine-1-carboxylate is CC(C)N1CCC(OC2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine-1-carboxylate?
The InChIKey is KDHKSEPUCLOQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-14(2)19-10-6-15(7-11-19)22-16-8-12-20(13-9-16)17(21)23-18(3,4)5/h14-16H,6-13H2,1-5H3.
What are the key properties of tert-butyl 4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine-1-carboxylate?
tert-butyl 4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine-1-carboxylate has a molecular weight of 326.48 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 91258385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).