[(2R)-1-[3-(quinolin-2-ylamino)propyl]piperidin-2-yl]methanol

C18H25N3O — CID 171359856

IUPAC[(2R)-1-[3-(quinolin-2-ylamino)propyl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1CCCNc1ccc2ccccc2n1
InChIInChI=1S/C18H25N3O/c22-14-16-7-3-4-12-21(16)13-5-11-19-18-10-9-15-6-1-2-8-17(15)20-18/h1-2,6,8-10,16,22H,3-5,7,11-14H2,(H,19,20)/t16-/m1/s1
InChIKeyFAZQTKMOIPBNPR-MRXNPFEDSA-N
MW299.42 g/mol
LogP2.88
Rot. Bonds6

About [(2R)-1-[3-(quinolin-2-ylamino)propyl]piperidin-2-yl]methanol

[(2R)-1-[3-(quinolin-2-ylamino)propyl]piperidin-2-yl]methanol (PubChem CID 171359856) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is [(2R)-1-[3-(quinolin-2-ylamino)propyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[3-(quinolin-2-ylamino)propyl]piperidin-2-yl]methanol
PubChem CID171359856
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name[(2R)-1-[3-(quinolin-2-ylamino)propyl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1CCCNc1ccc2ccccc2n1
InChIInChI=1S/C18H25N3O/c22-14-16-7-3-4-12-21(16)13-5-11-19-18-10-9-15-6-1-2-8-17(15)20-18/h1-2,6,8-10,16,22H,3-5,7,11-14H2,(H,19,20)/t16-/m1/s1
InChIKeyFAZQTKMOIPBNPR-MRXNPFEDSA-N
XLogP2.88
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3-(quinolin-2-ylamino)propyl]piperidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[3-(quinolin-2-ylamino)propyl]piperidin-2-yl]methanol (CID 171359856) is [(2R)-1-[3-(quinolin-2-ylamino)propyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[3-(quinolin-2-ylamino)propyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[3-(quinolin-2-ylamino)propyl]piperidin-2-yl]methanol is OC[C@H]1CCCCN1CCCNc1ccc2ccccc2n1.
What is the InChIKey of [(2R)-1-[3-(quinolin-2-ylamino)propyl]piperidin-2-yl]methanol?
The InChIKey is FAZQTKMOIPBNPR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O/c22-14-16-7-3-4-12-21(16)13-5-11-19-18-10-9-15-6-1-2-8-17(15)20-18/h1-2,6,8-10,16,22H,3-5,7,11-14H2,(H,19,20)/t16-/m1/s1.
What are the key properties of [(2R)-1-[3-(quinolin-2-ylamino)propyl]piperidin-2-yl]methanol?
[(2R)-1-[3-(quinolin-2-ylamino)propyl]piperidin-2-yl]methanol has a molecular weight of 299.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[3-(quinolin-2-ylamino)propyl]piperidin-2-yl]methanol is sourced from PubChem (CID 171359856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).