1-hexyl-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine

C17H35N3O — CID 130280381

IUPAC1-hexyl-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine
SMILESCCCCCCN1CCC(OC[C@H]2CCCN2C)C(N)C1
InChIInChI=1S/C17H35N3O/c1-3-4-5-6-11-20-12-9-17(16(18)13-20)21-14-15-8-7-10-19(15)2/h15-17H,3-14,18H2,1-2H3/t15-,16?,17?/m1/s1
InChIKeyATWLFDUWTXMINO-KLAILNCOSA-N
MW297.49 g/mol
LogP2.08
Rot. Bonds8

About 1-hexyl-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine

1-hexyl-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine (PubChem CID 130280381) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-hexyl-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine.

Molecular Properties

Compound Name1-hexyl-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine
PubChem CID130280381
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name1-hexyl-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine
SMILESCCCCCCN1CCC(OC[C@H]2CCCN2C)C(N)C1
InChIInChI=1S/C17H35N3O/c1-3-4-5-6-11-20-12-9-17(16(18)13-20)21-14-15-8-7-10-19(15)2/h15-17H,3-14,18H2,1-2H3/t15-,16?,17?/m1/s1
InChIKeyATWLFDUWTXMINO-KLAILNCOSA-N
XLogP2.08
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
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 1-hexyl-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine?
The IUPAC name of 1-hexyl-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine (CID 130280381) is 1-hexyl-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine.
What is the SMILES notation for 1-hexyl-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine?
The canonical SMILES for 1-hexyl-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine is CCCCCCN1CCC(OC[C@H]2CCCN2C)C(N)C1.
What is the InChIKey of 1-hexyl-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine?
The InChIKey is ATWLFDUWTXMINO-KLAILNCOSA-N. The full InChI is InChI=1S/C17H35N3O/c1-3-4-5-6-11-20-12-9-17(16(18)13-20)21-14-15-8-7-10-19(15)2/h15-17H,3-14,18H2,1-2H3/t15-,16?,17?/m1/s1.
What are the key properties of 1-hexyl-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine?
1-hexyl-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine has a molecular weight of 297.49 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine is sourced from PubChem (CID 130280381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).