2-piperidin-4-ylpropan-2-yl 3-aminocyclohexane-1-carboxylate

C15H28N2O2 — CID 155075516

IUPAC2-piperidin-4-ylpropan-2-yl 3-aminocyclohexane-1-carboxylate
SMILESCC(C)(OC(=O)C1CCCC(N)C1)C1CCNCC1
InChIInChI=1S/C15H28N2O2/c1-15(2,12-6-8-17-9-7-12)19-14(18)11-4-3-5-13(16)10-11/h11-13,17H,3-10,16H2,1-2H3
InChIKeyBHDPTCRZQXLTHJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.83
Rot. Bonds3

About 2-piperidin-4-ylpropan-2-yl 3-aminocyclohexane-1-carboxylate

2-piperidin-4-ylpropan-2-yl 3-aminocyclohexane-1-carboxylate (PubChem CID 155075516) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 3-aminocyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 3-aminocyclohexane-1-carboxylate
PubChem CID155075516
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-piperidin-4-ylpropan-2-yl 3-aminocyclohexane-1-carboxylate
SMILESCC(C)(OC(=O)C1CCCC(N)C1)C1CCNCC1
InChIInChI=1S/C15H28N2O2/c1-15(2,12-6-8-17-9-7-12)19-14(18)11-4-3-5-13(16)10-11/h11-13,17H,3-10,16H2,1-2H3
InChIKeyBHDPTCRZQXLTHJ-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 3-aminocyclohexane-1-carboxylate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 3-aminocyclohexane-1-carboxylate (CID 155075516) is 2-piperidin-4-ylpropan-2-yl 3-aminocyclohexane-1-carboxylate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 3-aminocyclohexane-1-carboxylate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 3-aminocyclohexane-1-carboxylate is CC(C)(OC(=O)C1CCCC(N)C1)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 3-aminocyclohexane-1-carboxylate?
The InChIKey is BHDPTCRZQXLTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,12-6-8-17-9-7-12)19-14(18)11-4-3-5-13(16)10-11/h11-13,17H,3-10,16H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 3-aminocyclohexane-1-carboxylate?
2-piperidin-4-ylpropan-2-yl 3-aminocyclohexane-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 3-aminocyclohexane-1-carboxylate is sourced from PubChem (CID 155075516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).