1-[(2R)-4-aminobutan-2-yl]-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(4-methyl-3-pyridinyl)methyl]piperidin-4-amine

C28H46N4OSi — CID 68970307

IUPAC1-[(2R)-4-aminobutan-2-yl]-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(4-methyl-3-pyridinyl)methyl]piperidin-4-amine
SMILESCc1ccncc1CN(c1ccc(O[Si](C)(C)C(C)(C)C)cc1)C1CCN([C@H](C)CCN)CC1
InChIInChI=1S/C28H46N4OSi/c1-22-13-17-30-20-24(22)21-32(26-14-18-31(19-15-26)23(2)12-16-29)25-8-10-27(11-9-25)33-34(6,7)28(3,4)5/h8-11,13,17,20,23,26H,12,14-16,18-19,21,29H2,1-7H3/t23-/m1/s1
InChIKeySTXKYFXMANFXQZ-HSZRJFAPSA-N
MW482.79 g/mol
LogP5.98
Rot. Bonds9

About 1-[(2R)-4-aminobutan-2-yl]-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(4-methyl-3-pyridinyl)methyl]piperidin-4-amine

1-[(2R)-4-aminobutan-2-yl]-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(4-methyl-3-pyridinyl)methyl]piperidin-4-amine (PubChem CID 68970307) has the molecular formula C28H46N4OSi and a molecular weight of 482.79 g/mol. Its IUPAC name is 1-[(2R)-4-aminobutan-2-yl]-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(4-methyl-3-pyridinyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2R)-4-aminobutan-2-yl]-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(4-methyl-3-pyridinyl)methyl]piperidin-4-amine
PubChem CID68970307
Molecular FormulaC28H46N4OSi
Molecular Weight482.79 g/mol
Exact Mass482.34
IUPAC Name1-[(2R)-4-aminobutan-2-yl]-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(4-methyl-3-pyridinyl)methyl]piperidin-4-amine
SMILESCc1ccncc1CN(c1ccc(O[Si](C)(C)C(C)(C)C)cc1)C1CCN([C@H](C)CCN)CC1
InChIInChI=1S/C28H46N4OSi/c1-22-13-17-30-20-24(22)21-32(26-14-18-31(19-15-26)23(2)12-16-29)25-8-10-27(11-9-25)33-34(6,7)28(3,4)5/h8-11,13,17,20,23,26H,12,14-16,18-19,21,29H2,1-7H3/t23-/m1/s1
InChIKeySTXKYFXMANFXQZ-HSZRJFAPSA-N
XLogP5.98
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.79
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(2R)-4-aminobutan-2-yl]-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(4-methyl-3-pyridinyl)methyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-aminobutan-2-yl]-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(4-methyl-3-pyridinyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(2R)-4-aminobutan-2-yl]-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(4-methyl-3-pyridinyl)methyl]piperidin-4-amine (CID 68970307) is 1-[(2R)-4-aminobutan-2-yl]-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(4-methyl-3-pyridinyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2R)-4-aminobutan-2-yl]-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(4-methyl-3-pyridinyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(2R)-4-aminobutan-2-yl]-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(4-methyl-3-pyridinyl)methyl]piperidin-4-amine is Cc1ccncc1CN(c1ccc(O[Si](C)(C)C(C)(C)C)cc1)C1CCN([C@H](C)CCN)CC1.
What is the InChIKey of 1-[(2R)-4-aminobutan-2-yl]-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(4-methyl-3-pyridinyl)methyl]piperidin-4-amine?
The InChIKey is STXKYFXMANFXQZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H46N4OSi/c1-22-13-17-30-20-24(22)21-32(26-14-18-31(19-15-26)23(2)12-16-29)25-8-10-27(11-9-25)33-34(6,7)28(3,4)5/h8-11,13,17,20,23,26H,12,14-16,18-19,21,29H2,1-7H3/t23-/m1/s1.
What are the key properties of 1-[(2R)-4-aminobutan-2-yl]-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(4-methyl-3-pyridinyl)methyl]piperidin-4-amine?
1-[(2R)-4-aminobutan-2-yl]-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(4-methyl-3-pyridinyl)methyl]piperidin-4-amine has a molecular weight of 482.79 g/mol, XLogP of 5.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-aminobutan-2-yl]-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-[(4-methyl-3-pyridinyl)methyl]piperidin-4-amine is sourced from PubChem (CID 68970307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).