(1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine

C17H27N3 — CID 78936816

IUPAC(1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCC(N3CCCCC3)C2)cc1
InChIInChI=1S/C17H27N3/c1-14(18)15-5-7-16(8-6-15)20-12-9-17(13-20)19-10-3-2-4-11-19/h5-8,14,17H,2-4,9-13,18H2,1H3/t14-,17?/m1/s1
InChIKeyBIOCJGCCYPORQI-XPCCGILXSA-N
MW273.42 g/mol
LogP2.77
Rot. Bonds3

About (1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine

(1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine (PubChem CID 78936816) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is (1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
PubChem CID78936816
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name(1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCC(N3CCCCC3)C2)cc1
InChIInChI=1S/C17H27N3/c1-14(18)15-5-7-16(8-6-15)20-12-9-17(13-20)19-10-3-2-4-11-19/h5-8,14,17H,2-4,9-13,18H2,1H3/t14-,17?/m1/s1
InChIKeyBIOCJGCCYPORQI-XPCCGILXSA-N
XLogP2.77
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine (CID 78936816) is (1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine is C[C@@H](N)c1ccc(N2CCC(N3CCCCC3)C2)cc1.
What is the InChIKey of (1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine?
The InChIKey is BIOCJGCCYPORQI-XPCCGILXSA-N. The full InChI is InChI=1S/C17H27N3/c1-14(18)15-5-7-16(8-6-15)20-12-9-17(13-20)19-10-3-2-4-11-19/h5-8,14,17H,2-4,9-13,18H2,1H3/t14-,17?/m1/s1.
What are the key properties of (1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine?
(1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 78936816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).