(3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine

C12H23N3 — CID 66799053

IUPAC(3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(C2CCN(C3CC3)CC2)C1
InChIInChI=1S/C12H23N3/c13-10-3-6-15(9-10)12-4-7-14(8-5-12)11-1-2-11/h10-12H,1-9,13H2/t10-/m0/s1
InChIKeyCFLMZMSKZCDYBF-JTQLQIEISA-N
MW209.34 g/mol
LogP0.65
Rot. Bonds2

About (3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine

(3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine (PubChem CID 66799053) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine
PubChem CID66799053
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(C2CCN(C3CC3)CC2)C1
InChIInChI=1S/C12H23N3/c13-10-3-6-15(9-10)12-4-7-14(8-5-12)11-1-2-11/h10-12H,1-9,13H2/t10-/m0/s1
InChIKeyCFLMZMSKZCDYBF-JTQLQIEISA-N
XLogP0.65
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine (CID 66799053) is (3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine is N[C@H]1CCN(C2CCN(C3CC3)CC2)C1.
What is the InChIKey of (3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine?
The InChIKey is CFLMZMSKZCDYBF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23N3/c13-10-3-6-15(9-10)12-4-7-14(8-5-12)11-1-2-11/h10-12H,1-9,13H2/t10-/m0/s1.
What are the key properties of (3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine?
(3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine has a molecular weight of 209.34 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 66799053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).