N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine

C21H28ClN3O2 — CID 24826627

IUPACN-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine
SMILESCCOc1cc(CN2CCC(Nc3cccnc3)CC2)cc(OCC)c1Cl
InChIInChI=1S/C21H28ClN3O2/c1-3-26-19-12-16(13-20(21(19)22)27-4-2)15-25-10-7-17(8-11-25)24-18-6-5-9-23-14-18/h5-6,9,12-14,17,24H,3-4,7-8,10-11,15H2,1-2H3
InChIKeyRHXNYABNSYGOHI-UHFFFAOYSA-N
MW389.93 g/mol
LogP4.61
Rot. Bonds8

About N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine

N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine (PubChem CID 24826627) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine
PubChem CID24826627
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC NameN-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine
SMILESCCOc1cc(CN2CCC(Nc3cccnc3)CC2)cc(OCC)c1Cl
InChIInChI=1S/C21H28ClN3O2/c1-3-26-19-12-16(13-20(21(19)22)27-4-2)15-25-10-7-17(8-11-25)24-18-6-5-9-23-14-18/h5-6,9,12-14,17,24H,3-4,7-8,10-11,15H2,1-2H3
InChIKeyRHXNYABNSYGOHI-UHFFFAOYSA-N
XLogP4.61
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]pyridin-3-amine
CID 24826467
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]isoquinolin-1-amine
CID 67401024
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine
CID 67198237
1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine
CID 91569438
2-chloro-N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-5-fluoropyrimidin-4-amine
CID 24851796
N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-pyridin-3-ylpyrimidin-2-amine
CID 24872409
3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol
CID 67401138
N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 4040204
3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol
CID 67399652
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-7H-purin-6-amine
CID 67147353
1-[2-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-yl]-1-(5-pyridin-3-ylpyrimidin-2-yl)hydrazine
CID 68967573
1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
CID 113232473

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine?
The IUPAC name of N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine (CID 24826627) is N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine.
What is the SMILES notation for N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine?
The canonical SMILES for N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine is CCOc1cc(CN2CCC(Nc3cccnc3)CC2)cc(OCC)c1Cl.
What is the InChIKey of N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine?
The InChIKey is RHXNYABNSYGOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O2/c1-3-26-19-12-16(13-20(21(19)22)27-4-2)15-25-10-7-17(8-11-25)24-18-6-5-9-23-14-18/h5-6,9,12-14,17,24H,3-4,7-8,10-11,15H2,1-2H3.
What are the key properties of N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine?
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine has a molecular weight of 389.93 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine is sourced from PubChem (CID 24826627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).