N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

C21H28N4O — CID 119127383

IUPACN-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESc1cc(CNC2CCCN(c3cccnn3)C2)cc(OC2CCCC2)c1
InChIInChI=1S/C21H28N4O/c1-2-9-19(8-1)26-20-10-3-6-17(14-20)15-22-18-7-5-13-25(16-18)21-11-4-12-23-24-21/h3-4,6,10-12,14,18-19,22H,1-2,5,7-9,13,15-16H2
InChIKeyHOVDXDZUVRQUAV-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.56
Rot. Bonds6

About N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 119127383) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID119127383
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESc1cc(CNC2CCCN(c3cccnn3)C2)cc(OC2CCCC2)c1
InChIInChI=1S/C21H28N4O/c1-2-9-19(8-1)26-20-10-3-6-17(14-20)15-22-18-7-5-13-25(16-18)21-11-4-12-23-24-21/h3-4,6,10-12,14,18-19,22H,1-2,5,7-9,13,15-16H2
InChIKeyHOVDXDZUVRQUAV-UHFFFAOYSA-N
XLogP3.56
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127441
1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine
CID 119127379
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine
CID 119125214
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321454
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127354
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545138
N-[(4-methoxy-3-nitrophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119124011

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 119127383) is N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is c1cc(CNC2CCCN(c3cccnn3)C2)cc(OC2CCCC2)c1.
What is the InChIKey of N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is HOVDXDZUVRQUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-2-9-19(8-1)26-20-10-3-6-17(14-20)15-22-18-7-5-13-25(16-18)21-11-4-12-23-24-21/h3-4,6,10-12,14,18-19,22H,1-2,5,7-9,13,15-16H2.
What are the key properties of N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 352.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 119127383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).