(1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine

C14H26N4 — CID 104942805

IUPAC(1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1C(C)CN1CCCCC1
InChIInChI=1S/C14H26N4/c1-3-13(15)14-9-16-11-18(14)12(2)10-17-7-5-4-6-8-17/h9,11-13H,3-8,10,15H2,1-2H3/t12?,13-/m1/s1
InChIKeyPNKHQDCYVDTVLI-ZGTCLIOFSA-N
MW250.39 g/mol
LogP2.34
Rot. Bonds5

About (1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine

(1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine (PubChem CID 104942805) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is (1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine
PubChem CID104942805
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name(1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1C(C)CN1CCCCC1
InChIInChI=1S/C14H26N4/c1-3-13(15)14-9-16-11-18(14)12(2)10-17-7-5-4-6-8-17/h9,11-13H,3-8,10,15H2,1-2H3/t12?,13-/m1/s1
InChIKeyPNKHQDCYVDTVLI-ZGTCLIOFSA-N
XLogP2.34
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine (CID 104942805) is (1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1C(C)CN1CCCCC1.
What is the InChIKey of (1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine?
The InChIKey is PNKHQDCYVDTVLI-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-13(15)14-9-16-11-18(14)12(2)10-17-7-5-4-6-8-17/h9,11-13H,3-8,10,15H2,1-2H3/t12?,13-/m1/s1.
What are the key properties of (1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine?
(1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104942805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).