1-[2-(6-methylpyridazin-3-yl)oxyethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine

C21H28N4O — CID 129279755

IUPAC1-[2-(6-methylpyridazin-3-yl)oxyethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
SMILESCc1ccc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)nn1
InChIInChI=1S/C21H28N4O/c1-16-7-8-21(24-23-16)26-14-13-25-11-9-18(10-12-25)22-20-15-19(20)17-5-3-2-4-6-17/h2-8,18-20,22H,9-15H2,1H3/t19-,20+/m0/s1
InChIKeyIMRJZDXIPBRCBP-VQTJNVASSA-N
MW352.48 g/mol
LogP2.77
Rot. Bonds7

About 1-[2-(6-methylpyridazin-3-yl)oxyethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine

1-[2-(6-methylpyridazin-3-yl)oxyethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine (PubChem CID 129279755) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[2-(6-methylpyridazin-3-yl)oxyethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(6-methylpyridazin-3-yl)oxyethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
PubChem CID129279755
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name1-[2-(6-methylpyridazin-3-yl)oxyethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
SMILESCc1ccc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)nn1
InChIInChI=1S/C21H28N4O/c1-16-7-8-21(24-23-16)26-14-13-25-11-9-18(10-12-25)22-20-15-19(20)17-5-3-2-4-6-17/h2-8,18-20,22H,9-15H2,1H3/t19-,20+/m0/s1
InChIKeyIMRJZDXIPBRCBP-VQTJNVASSA-N
XLogP2.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methylpyridazin-3-yl)oxyethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The IUPAC name of 1-[2-(6-methylpyridazin-3-yl)oxyethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine (CID 129279755) is 1-[2-(6-methylpyridazin-3-yl)oxyethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(6-methylpyridazin-3-yl)oxyethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(6-methylpyridazin-3-yl)oxyethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine is Cc1ccc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)nn1.
What is the InChIKey of 1-[2-(6-methylpyridazin-3-yl)oxyethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The InChIKey is IMRJZDXIPBRCBP-VQTJNVASSA-N. The full InChI is InChI=1S/C21H28N4O/c1-16-7-8-21(24-23-16)26-14-13-25-11-9-18(10-12-25)22-20-15-19(20)17-5-3-2-4-6-17/h2-8,18-20,22H,9-15H2,1H3/t19-,20+/m0/s1.
What are the key properties of 1-[2-(6-methylpyridazin-3-yl)oxyethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
1-[2-(6-methylpyridazin-3-yl)oxyethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine has a molecular weight of 352.48 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methylpyridazin-3-yl)oxyethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine is sourced from PubChem (CID 129279755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).