2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoro-3-N-propan-2-ylpyridine-2,3-diamine

C22H31FN4 — CID 10571219

IUPAC2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoro-3-N-propan-2-ylpyridine-2,3-diamine
SMILESCCN(c1nc(F)ccc1NC(C)C)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H31FN4/c1-4-27(22-20(24-17(2)3)10-11-21(23)25-22)19-12-14-26(15-13-19)16-18-8-6-5-7-9-18/h5-11,17,19,24H,4,12-16H2,1-3H3
InChIKeyOGHCTQQPTQSIPI-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.53
Rot. Bonds7

About 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoro-3-N-propan-2-ylpyridine-2,3-diamine

2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoro-3-N-propan-2-ylpyridine-2,3-diamine (PubChem CID 10571219) has the molecular formula C22H31FN4 and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoro-3-N-propan-2-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoro-3-N-propan-2-ylpyridine-2,3-diamine
PubChem CID10571219
Molecular FormulaC22H31FN4
Molecular Weight370.52 g/mol
Exact Mass370.25
IUPAC Name2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoro-3-N-propan-2-ylpyridine-2,3-diamine
SMILESCCN(c1nc(F)ccc1NC(C)C)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H31FN4/c1-4-27(22-20(24-17(2)3)10-11-21(23)25-22)19-12-14-26(15-13-19)16-18-8-6-5-7-9-18/h5-11,17,19,24H,4,12-16H2,1-3H3
InChIKeyOGHCTQQPTQSIPI-UHFFFAOYSA-N
XLogP4.53
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoro-3-N-propan-2-ylpyridine-2,3-diamine?
The IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoro-3-N-propan-2-ylpyridine-2,3-diamine (CID 10571219) is 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoro-3-N-propan-2-ylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoro-3-N-propan-2-ylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoro-3-N-propan-2-ylpyridine-2,3-diamine is CCN(c1nc(F)ccc1NC(C)C)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoro-3-N-propan-2-ylpyridine-2,3-diamine?
The InChIKey is OGHCTQQPTQSIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4/c1-4-27(22-20(24-17(2)3)10-11-21(23)25-22)19-12-14-26(15-13-19)16-18-8-6-5-7-9-18/h5-11,17,19,24H,4,12-16H2,1-3H3.
What are the key properties of 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoro-3-N-propan-2-ylpyridine-2,3-diamine?
2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoro-3-N-propan-2-ylpyridine-2,3-diamine has a molecular weight of 370.52 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-6-fluoro-3-N-propan-2-ylpyridine-2,3-diamine is sourced from PubChem (CID 10571219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).