2-N-(1-benzylpiperidin-4-yl)-3-N-ethyl-2-N-(2-methoxyethyl)-3-N-methylpyridine-2,3-diamine

C23H34N4O — CID 67692357

IUPAC2-N-(1-benzylpiperidin-4-yl)-3-N-ethyl-2-N-(2-methoxyethyl)-3-N-methylpyridine-2,3-diamine
SMILESCCN(C)c1cccnc1N(CCOC)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H34N4O/c1-4-25(2)22-11-8-14-24-23(22)27(17-18-28-3)21-12-15-26(16-13-21)19-20-9-6-5-7-10-20/h5-11,14,21H,4,12-13,15-19H2,1-3H3
InChIKeyCIEPCCSGHLYBKA-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.66
Rot. Bonds9

About 2-N-(1-benzylpiperidin-4-yl)-3-N-ethyl-2-N-(2-methoxyethyl)-3-N-methylpyridine-2,3-diamine

2-N-(1-benzylpiperidin-4-yl)-3-N-ethyl-2-N-(2-methoxyethyl)-3-N-methylpyridine-2,3-diamine (PubChem CID 67692357) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is 2-N-(1-benzylpiperidin-4-yl)-3-N-ethyl-2-N-(2-methoxyethyl)-3-N-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(1-benzylpiperidin-4-yl)-3-N-ethyl-2-N-(2-methoxyethyl)-3-N-methylpyridine-2,3-diamine
PubChem CID67692357
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name2-N-(1-benzylpiperidin-4-yl)-3-N-ethyl-2-N-(2-methoxyethyl)-3-N-methylpyridine-2,3-diamine
SMILESCCN(C)c1cccnc1N(CCOC)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H34N4O/c1-4-25(2)22-11-8-14-24-23(22)27(17-18-28-3)21-12-15-26(16-13-21)19-20-9-6-5-7-10-20/h5-11,14,21H,4,12-13,15-19H2,1-3H3
InChIKeyCIEPCCSGHLYBKA-UHFFFAOYSA-N
XLogP3.66
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-N-(1-benzylpiperidin-4-yl)-3-N-ethyl-2-N-(2-methoxyethyl)-3-N-methylpyridine-2,3-diamine with MolForge

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Related Compounds

2-N-(1-benzylpiperidin-4-yl)-2-N,3-N-diethylpyridine-2,3-diamine
CID 10497248
methyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate
CID 10759534
2-N-(1-benzylpiperidin-4-yl)-3-N-(1-ethoxycyclopropyl)-2-N-methylpyridine-2,3-diamine
CID 10643521
2-[(1-benzylpiperidin-4-yl)-methylamino]phenol
CID 57245914
(3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129335856
1-N-(1-benzylpiperidin-4-yl)-2-chlorobenzene-1,4-diamine;2-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,4-diamine
CID 70138314
1-benzyl-N,N-dibutylpiperidin-4-amine
CID 102272076
1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine
CID 131902682
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 136579147
N-(1-benzylpiperidin-4-yl)-3-methoxy-N,2-dimethylpropanamide
CID 136525412
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
CID 22712052

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-3-N-ethyl-2-N-(2-methoxyethyl)-3-N-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-3-N-ethyl-2-N-(2-methoxyethyl)-3-N-methylpyridine-2,3-diamine (CID 67692357) is 2-N-(1-benzylpiperidin-4-yl)-3-N-ethyl-2-N-(2-methoxyethyl)-3-N-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(1-benzylpiperidin-4-yl)-3-N-ethyl-2-N-(2-methoxyethyl)-3-N-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(1-benzylpiperidin-4-yl)-3-N-ethyl-2-N-(2-methoxyethyl)-3-N-methylpyridine-2,3-diamine is CCN(C)c1cccnc1N(CCOC)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-N-(1-benzylpiperidin-4-yl)-3-N-ethyl-2-N-(2-methoxyethyl)-3-N-methylpyridine-2,3-diamine?
The InChIKey is CIEPCCSGHLYBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-4-25(2)22-11-8-14-24-23(22)27(17-18-28-3)21-12-15-26(16-13-21)19-20-9-6-5-7-10-20/h5-11,14,21H,4,12-13,15-19H2,1-3H3.
What are the key properties of 2-N-(1-benzylpiperidin-4-yl)-3-N-ethyl-2-N-(2-methoxyethyl)-3-N-methylpyridine-2,3-diamine?
2-N-(1-benzylpiperidin-4-yl)-3-N-ethyl-2-N-(2-methoxyethyl)-3-N-methylpyridine-2,3-diamine has a molecular weight of 382.55 g/mol, XLogP of 3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzylpiperidin-4-yl)-3-N-ethyl-2-N-(2-methoxyethyl)-3-N-methylpyridine-2,3-diamine is sourced from PubChem (CID 67692357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).