N-piperidin-1-yl-N-[(1S)-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]piperidin-1-amine

C27H55N3OSi — CID 134906112

IUPACN-piperidin-1-yl-N-[(1S)-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]piperidin-1-amine
SMILESCCC[C@]1(N(N2CCCCC2)N2CCCCC2)CC1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H55N3OSi/c1-8-16-27(30(28-17-11-9-12-18-28)29-19-13-10-14-20-29)22-26(27)15-21-31-32(23(2)3,24(4)5)25(6)7/h23-26H,8-22H2,1-7H3/t26?,27-/m0/s1
InChIKeyAWLVGIAITUPNSO-GEVKEYJPSA-N
MW465.84 g/mol
LogP7.23
Rot. Bonds12

About N-piperidin-1-yl-N-[(1S)-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]piperidin-1-amine

N-piperidin-1-yl-N-[(1S)-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]piperidin-1-amine (PubChem CID 134906112) has the molecular formula C27H55N3OSi and a molecular weight of 465.84 g/mol. Its IUPAC name is N-piperidin-1-yl-N-[(1S)-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]piperidin-1-amine.

Molecular Properties

Compound NameN-piperidin-1-yl-N-[(1S)-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]piperidin-1-amine
PubChem CID134906112
Molecular FormulaC27H55N3OSi
Molecular Weight465.84 g/mol
Exact Mass465.41
IUPAC NameN-piperidin-1-yl-N-[(1S)-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]piperidin-1-amine
SMILESCCC[C@]1(N(N2CCCCC2)N2CCCCC2)CC1CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H55N3OSi/c1-8-16-27(30(28-17-11-9-12-18-28)29-19-13-10-14-20-29)22-26(27)15-21-31-32(23(2)3,24(4)5)25(6)7/h23-26H,8-22H2,1-7H3/t26?,27-/m0/s1
InChIKeyAWLVGIAITUPNSO-GEVKEYJPSA-N
XLogP7.23
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.84
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N-piperidin-1-yl-N-[(1S)-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]piperidin-1-amine?
The IUPAC name of N-piperidin-1-yl-N-[(1S)-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]piperidin-1-amine (CID 134906112) is N-piperidin-1-yl-N-[(1S)-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]piperidin-1-amine.
What is the SMILES notation for N-piperidin-1-yl-N-[(1S)-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]piperidin-1-amine?
The canonical SMILES for N-piperidin-1-yl-N-[(1S)-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]piperidin-1-amine is CCC[C@]1(N(N2CCCCC2)N2CCCCC2)CC1CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of N-piperidin-1-yl-N-[(1S)-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]piperidin-1-amine?
The InChIKey is AWLVGIAITUPNSO-GEVKEYJPSA-N. The full InChI is InChI=1S/C27H55N3OSi/c1-8-16-27(30(28-17-11-9-12-18-28)29-19-13-10-14-20-29)22-26(27)15-21-31-32(23(2)3,24(4)5)25(6)7/h23-26H,8-22H2,1-7H3/t26?,27-/m0/s1.
What are the key properties of N-piperidin-1-yl-N-[(1S)-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]piperidin-1-amine?
N-piperidin-1-yl-N-[(1S)-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]piperidin-1-amine has a molecular weight of 465.84 g/mol, XLogP of 7.23, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-N-[(1S)-1-propyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]piperidin-1-amine is sourced from PubChem (CID 134906112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).