(2S,3R)-2-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]oxolan-3-amine

C15H28N2O — CID 128922173

IUPAC(2S,3R)-2-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]oxolan-3-amine
SMILESCC1(CN2CCC([C@@H]3OCC[C@H]3N)CC2)CCC1
InChIInChI=1S/C15H28N2O/c1-15(6-2-7-15)11-17-8-3-12(4-9-17)14-13(16)5-10-18-14/h12-14H,2-11,16H2,1H3/t13-,14+/m1/s1
InChIKeyOZKARKXNVJZLOJ-KGLIPLIRSA-N
MW252.40 g/mol
LogP2.00
Rot. Bonds3

About (2S,3R)-2-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]oxolan-3-amine

(2S,3R)-2-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]oxolan-3-amine (PubChem CID 128922173) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (2S,3R)-2-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]oxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]oxolan-3-amine
PubChem CID128922173
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(2S,3R)-2-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]oxolan-3-amine
SMILESCC1(CN2CCC([C@@H]3OCC[C@H]3N)CC2)CCC1
InChIInChI=1S/C15H28N2O/c1-15(6-2-7-15)11-17-8-3-12(4-9-17)14-13(16)5-10-18-14/h12-14H,2-11,16H2,1H3/t13-,14+/m1/s1
InChIKeyOZKARKXNVJZLOJ-KGLIPLIRSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]oxolan-3-amine?
The IUPAC name of (2S,3R)-2-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]oxolan-3-amine (CID 128922173) is (2S,3R)-2-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]oxolan-3-amine.
What is the SMILES notation for (2S,3R)-2-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]oxolan-3-amine?
The canonical SMILES for (2S,3R)-2-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]oxolan-3-amine is CC1(CN2CCC([C@@H]3OCC[C@H]3N)CC2)CCC1.
What is the InChIKey of (2S,3R)-2-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]oxolan-3-amine?
The InChIKey is OZKARKXNVJZLOJ-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(6-2-7-15)11-17-8-3-12(4-9-17)14-13(16)5-10-18-14/h12-14H,2-11,16H2,1H3/t13-,14+/m1/s1.
What are the key properties of (2S,3R)-2-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]oxolan-3-amine?
(2S,3R)-2-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]oxolan-3-amine has a molecular weight of 252.40 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]oxolan-3-amine is sourced from PubChem (CID 128922173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).