(2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine

C17H35N3O — CID 153485962

IUPAC(2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCO[C@@H](CN2CCN(CC(C)(C)C)CC2)C1
InChIInChI=1S/C17H35N3O/c1-15(2)20-10-11-21-16(13-20)12-18-6-8-19(9-7-18)14-17(3,4)5/h15-16H,6-14H2,1-5H3/t16-/m0/s1
InChIKeyRASDWNLPYCXOMW-INIZCTEOSA-N
MW297.49 g/mol
LogP1.76
Rot. Bonds4

About (2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine

(2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine (PubChem CID 153485962) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is (2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
PubChem CID153485962
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name(2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCO[C@@H](CN2CCN(CC(C)(C)C)CC2)C1
InChIInChI=1S/C17H35N3O/c1-15(2)20-10-11-21-16(13-20)12-18-6-8-19(9-7-18)14-17(3,4)5/h15-16H,6-14H2,1-5H3/t16-/m0/s1
InChIKeyRASDWNLPYCXOMW-INIZCTEOSA-N
XLogP1.76
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
The IUPAC name of (2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine (CID 153485962) is (2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for (2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for (2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine is CC(C)N1CCO[C@@H](CN2CCN(CC(C)(C)C)CC2)C1.
What is the InChIKey of (2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
The InChIKey is RASDWNLPYCXOMW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H35N3O/c1-15(2)20-10-11-21-16(13-20)12-18-6-8-19(9-7-18)14-17(3,4)5/h15-16H,6-14H2,1-5H3/t16-/m0/s1.
What are the key properties of (2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine?
(2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine has a molecular weight of 297.49 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 153485962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).