2-[(2S)-2-piperidin-1-yl-2-propylcyclopropyl]ethoxy-tri(propan-2-yl)silane

C22H45NOSi — CID 146018998

IUPAC2-[(2S)-2-piperidin-1-yl-2-propylcyclopropyl]ethoxy-tri(propan-2-yl)silane
SMILESCCC[C@]1(N2CCCCC2)CC1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H45NOSi/c1-8-13-22(23-14-10-9-11-15-23)17-21(22)12-16-24-25(18(2)3,19(4)5)20(6)7/h18-21H,8-17H2,1-7H3/t21?,22-/m0/s1
InChIKeyBLEGSJQYNKMPLF-KEKNWZKVSA-N
MW367.69 g/mol
LogP6.61
Rot. Bonds10

About 2-[(2S)-2-piperidin-1-yl-2-propylcyclopropyl]ethoxy-tri(propan-2-yl)silane

2-[(2S)-2-piperidin-1-yl-2-propylcyclopropyl]ethoxy-tri(propan-2-yl)silane (PubChem CID 146018998) has the molecular formula C22H45NOSi and a molecular weight of 367.69 g/mol. Its IUPAC name is 2-[(2S)-2-piperidin-1-yl-2-propylcyclopropyl]ethoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[(2S)-2-piperidin-1-yl-2-propylcyclopropyl]ethoxy-tri(propan-2-yl)silane
PubChem CID146018998
Molecular FormulaC22H45NOSi
Molecular Weight367.69 g/mol
Exact Mass367.33
IUPAC Name2-[(2S)-2-piperidin-1-yl-2-propylcyclopropyl]ethoxy-tri(propan-2-yl)silane
SMILESCCC[C@]1(N2CCCCC2)CC1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H45NOSi/c1-8-13-22(23-14-10-9-11-15-23)17-21(22)12-16-24-25(18(2)3,19(4)5)20(6)7/h18-21H,8-17H2,1-7H3/t21?,22-/m0/s1
InChIKeyBLEGSJQYNKMPLF-KEKNWZKVSA-N
XLogP6.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.69
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-piperidin-1-yl-2-propylcyclopropyl]ethoxy-tri(propan-2-yl)silane?
The IUPAC name of 2-[(2S)-2-piperidin-1-yl-2-propylcyclopropyl]ethoxy-tri(propan-2-yl)silane (CID 146018998) is 2-[(2S)-2-piperidin-1-yl-2-propylcyclopropyl]ethoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[(2S)-2-piperidin-1-yl-2-propylcyclopropyl]ethoxy-tri(propan-2-yl)silane?
The canonical SMILES for 2-[(2S)-2-piperidin-1-yl-2-propylcyclopropyl]ethoxy-tri(propan-2-yl)silane is CCC[C@]1(N2CCCCC2)CC1CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-[(2S)-2-piperidin-1-yl-2-propylcyclopropyl]ethoxy-tri(propan-2-yl)silane?
The InChIKey is BLEGSJQYNKMPLF-KEKNWZKVSA-N. The full InChI is InChI=1S/C22H45NOSi/c1-8-13-22(23-14-10-9-11-15-23)17-21(22)12-16-24-25(18(2)3,19(4)5)20(6)7/h18-21H,8-17H2,1-7H3/t21?,22-/m0/s1.
What are the key properties of 2-[(2S)-2-piperidin-1-yl-2-propylcyclopropyl]ethoxy-tri(propan-2-yl)silane?
2-[(2S)-2-piperidin-1-yl-2-propylcyclopropyl]ethoxy-tri(propan-2-yl)silane has a molecular weight of 367.69 g/mol, XLogP of 6.61, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-piperidin-1-yl-2-propylcyclopropyl]ethoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 146018998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).