2-N-(1-benzylpiperidin-4-yl)-2-N,3-N-diethylpyridine-2,3-diamine

C21H30N4 — CID 10497248

IUPAC2-N-(1-benzylpiperidin-4-yl)-2-N,3-N-diethylpyridine-2,3-diamine
SMILESCCNc1cccnc1N(CC)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H30N4/c1-3-22-20-11-8-14-23-21(20)25(4-2)19-12-15-24(16-13-19)17-18-9-6-5-7-10-18/h5-11,14,19,22H,3-4,12-13,15-17H2,1-2H3
InChIKeyPNLZWBXNJLLFJZ-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.00
Rot. Bonds7

About 2-N-(1-benzylpiperidin-4-yl)-2-N,3-N-diethylpyridine-2,3-diamine

2-N-(1-benzylpiperidin-4-yl)-2-N,3-N-diethylpyridine-2,3-diamine (PubChem CID 10497248) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-N-(1-benzylpiperidin-4-yl)-2-N,3-N-diethylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(1-benzylpiperidin-4-yl)-2-N,3-N-diethylpyridine-2,3-diamine
PubChem CID10497248
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name2-N-(1-benzylpiperidin-4-yl)-2-N,3-N-diethylpyridine-2,3-diamine
SMILESCCNc1cccnc1N(CC)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H30N4/c1-3-22-20-11-8-14-23-21(20)25(4-2)19-12-15-24(16-13-19)17-18-9-6-5-7-10-18/h5-11,14,19,22H,3-4,12-13,15-17H2,1-2H3
InChIKeyPNLZWBXNJLLFJZ-UHFFFAOYSA-N
XLogP4.00
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(1-benzylpiperidin-4-yl)-3-N-(1-ethoxycyclopropyl)-2-N-methylpyridine-2,3-diamine
CID 10643521
2-N-(1-benzylpiperidin-4-yl)-3-N-ethyl-2-N-(2-methoxyethyl)-3-N-methylpyridine-2,3-diamine
CID 67692357
2-[[2-[(1-benzylpiperidin-4-yl)-ethylamino]-6-fluoro-3-pyridinyl]amino]-2-methylpropanenitrile
CID 67576774
methyl 2-[(1-benzylpiperidin-4-yl)-methylamino]pyridine-3-carboxylate
CID 10759534
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
(5-amino-1H-indol-2-yl)-[4-[ethyl-[3-(ethylamino)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 10549335
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145
1-benzyl-N-[1-(3-methyl-2-pyridinyl)propyl]piperidin-4-amine
CID 50979377
2-[(1-benzylpiperidin-4-yl)-ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 24798111
(3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129335856
[2-[cyclopropyl(ethyl)amino]-3-pyridinyl]methanol
CID 61257683
1-benzyl-N-methylpiperidin-4-amine
CID 4136128

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-2-N,3-N-diethylpyridine-2,3-diamine?
The IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-2-N,3-N-diethylpyridine-2,3-diamine (CID 10497248) is 2-N-(1-benzylpiperidin-4-yl)-2-N,3-N-diethylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(1-benzylpiperidin-4-yl)-2-N,3-N-diethylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(1-benzylpiperidin-4-yl)-2-N,3-N-diethylpyridine-2,3-diamine is CCNc1cccnc1N(CC)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-N-(1-benzylpiperidin-4-yl)-2-N,3-N-diethylpyridine-2,3-diamine?
The InChIKey is PNLZWBXNJLLFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-3-22-20-11-8-14-23-21(20)25(4-2)19-12-15-24(16-13-19)17-18-9-6-5-7-10-18/h5-11,14,19,22H,3-4,12-13,15-17H2,1-2H3.
What are the key properties of 2-N-(1-benzylpiperidin-4-yl)-2-N,3-N-diethylpyridine-2,3-diamine?
2-N-(1-benzylpiperidin-4-yl)-2-N,3-N-diethylpyridine-2,3-diamine has a molecular weight of 338.50 g/mol, XLogP of 4.00, 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,3-N-diethylpyridine-2,3-diamine is sourced from PubChem (CID 10497248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).