N-[(3R)-oxolan-3-yl]-1-propan-2-ylpiperidin-4-amine

C12H24N2O — CID 178157179

IUPACN-[(3R)-oxolan-3-yl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N[C@@H]2CCOC2)CC1
InChIInChI=1S/C12H24N2O/c1-10(2)14-6-3-11(4-7-14)13-12-5-8-15-9-12/h10-13H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyRJKHFDPZBUFPMN-GFCCVEGCSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds3

About N-[(3R)-oxolan-3-yl]-1-propan-2-ylpiperidin-4-amine

N-[(3R)-oxolan-3-yl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 178157179) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[(3R)-oxolan-3-yl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3R)-oxolan-3-yl]-1-propan-2-ylpiperidin-4-amine
PubChem CID178157179
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[(3R)-oxolan-3-yl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N[C@@H]2CCOC2)CC1
InChIInChI=1S/C12H24N2O/c1-10(2)14-6-3-11(4-7-14)13-12-5-8-15-9-12/h10-13H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyRJKHFDPZBUFPMN-GFCCVEGCSA-N
XLogP1.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-oxolan-3-yl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[(3R)-oxolan-3-yl]-1-propan-2-ylpiperidin-4-amine (CID 178157179) is N-[(3R)-oxolan-3-yl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(3R)-oxolan-3-yl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(3R)-oxolan-3-yl]-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(N[C@@H]2CCOC2)CC1.
What is the InChIKey of N-[(3R)-oxolan-3-yl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is RJKHFDPZBUFPMN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)14-6-3-11(4-7-14)13-12-5-8-15-9-12/h10-13H,3-9H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(3R)-oxolan-3-yl]-1-propan-2-ylpiperidin-4-amine?
N-[(3R)-oxolan-3-yl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-oxolan-3-yl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 178157179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).