2,2-dimethyl-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine

C18H30N2 — CID 7577799

IUPAC2,2-dimethyl-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
SMILESCC(C)(C)CN[C@@H](CN1CCCCC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-18(2,3)15-19-17(16-10-6-4-7-11-16)14-20-12-8-5-9-13-20/h4,6-7,10-11,17,19H,5,8-9,12-15H2,1-3H3/t17-/m0/s1
InChIKeyRUWFXOINQANLGF-KRWDZBQOSA-N
MW274.45 g/mol
LogP3.85
Rot. Bonds5

About 2,2-dimethyl-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine

2,2-dimethyl-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine (PubChem CID 7577799) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
PubChem CID7577799
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2,2-dimethyl-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
SMILESCC(C)(C)CN[C@@H](CN1CCCCC1)c1ccccc1
InChIInChI=1S/C18H30N2/c1-18(2,3)15-19-17(16-10-6-4-7-11-16)14-20-12-8-5-9-13-20/h4,6-7,10-11,17,19H,5,8-9,12-15H2,1-3H3/t17-/m0/s1
InChIKeyRUWFXOINQANLGF-KRWDZBQOSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine (CID 7577799) is 2,2-dimethyl-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine is CC(C)(C)CN[C@@H](CN1CCCCC1)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine?
The InChIKey is RUWFXOINQANLGF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H30N2/c1-18(2,3)15-19-17(16-10-6-4-7-11-16)14-20-12-8-5-9-13-20/h4,6-7,10-11,17,19H,5,8-9,12-15H2,1-3H3/t17-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine?
2,2-dimethyl-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine is sourced from PubChem (CID 7577799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).