tert-butyl 4-[hydroxy(piperidin-4-yl)methyl]piperidine-1-carboxylate

C16H30N2O3 — CID 155893615

IUPACtert-butyl 4-[hydroxy(piperidin-4-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(O)C2CCNCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)18-10-6-13(7-11-18)14(19)12-4-8-17-9-5-12/h12-14,17,19H,4-11H2,1-3H3
InChIKeySSVUSTRGFAPXRX-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.99
Rot. Bonds2

About tert-butyl 4-[hydroxy(piperidin-4-yl)methyl]piperidine-1-carboxylate

tert-butyl 4-[hydroxy(piperidin-4-yl)methyl]piperidine-1-carboxylate (PubChem CID 155893615) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 4-[hydroxy(piperidin-4-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[hydroxy(piperidin-4-yl)methyl]piperidine-1-carboxylate
PubChem CID155893615
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 4-[hydroxy(piperidin-4-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(O)C2CCNCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)18-10-6-13(7-11-18)14(19)12-4-8-17-9-5-12/h12-14,17,19H,4-11H2,1-3H3
InChIKeySSVUSTRGFAPXRX-UHFFFAOYSA-N
XLogP1.99
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[hydroxy(piperidin-4-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[hydroxy(piperidin-4-yl)methyl]piperidine-1-carboxylate (CID 155893615) is tert-butyl 4-[hydroxy(piperidin-4-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[hydroxy(piperidin-4-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[hydroxy(piperidin-4-yl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(O)C2CCNCC2)CC1.
What is the InChIKey of tert-butyl 4-[hydroxy(piperidin-4-yl)methyl]piperidine-1-carboxylate?
The InChIKey is SSVUSTRGFAPXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)18-10-6-13(7-11-18)14(19)12-4-8-17-9-5-12/h12-14,17,19H,4-11H2,1-3H3.
What are the key properties of tert-butyl 4-[hydroxy(piperidin-4-yl)methyl]piperidine-1-carboxylate?
tert-butyl 4-[hydroxy(piperidin-4-yl)methyl]piperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[hydroxy(piperidin-4-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 155893615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).