(2R)-1-[4-[[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol

C15H28N4O2 — CID 95341291

IUPAC(2R)-1-[4-[[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol
SMILESCc1nnc([C@H](C)N(C)CC2CCN(C[C@@H](C)O)CC2)o1
InChIInChI=1S/C15H28N4O2/c1-11(20)9-19-7-5-14(6-8-19)10-18(4)12(2)15-17-16-13(3)21-15/h11-12,14,20H,5-10H2,1-4H3/t11-,12+/m1/s1
InChIKeyIEJXQQYEQRQNOH-NEPJUHHUSA-N
MW296.42 g/mol
LogP1.46
Rot. Bonds6

About (2R)-1-[4-[[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol

(2R)-1-[4-[[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 95341291) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is (2R)-1-[4-[[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID95341291
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name(2R)-1-[4-[[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol
SMILESCc1nnc([C@H](C)N(C)CC2CCN(C[C@@H](C)O)CC2)o1
InChIInChI=1S/C15H28N4O2/c1-11(20)9-19-7-5-14(6-8-19)10-18(4)12(2)15-17-16-13(3)21-15/h11-12,14,20H,5-10H2,1-4H3/t11-,12+/m1/s1
InChIKeyIEJXQQYEQRQNOH-NEPJUHHUSA-N
XLogP1.46
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol (CID 95341291) is (2R)-1-[4-[[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol is Cc1nnc([C@H](C)N(C)CC2CCN(C[C@@H](C)O)CC2)o1.
What is the InChIKey of (2R)-1-[4-[[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is IEJXQQYEQRQNOH-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-11(20)9-19-7-5-14(6-8-19)10-18(4)12(2)15-17-16-13(3)21-15/h11-12,14,20H,5-10H2,1-4H3/t11-,12+/m1/s1.
What are the key properties of (2R)-1-[4-[[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol?
(2R)-1-[4-[[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 296.42 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95341291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).