1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine

C22H29N3O — CID 129279636

IUPAC1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
SMILESCc1cccc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)n1
InChIInChI=1S/C22H29N3O/c1-17-6-5-9-22(23-17)26-15-14-25-12-10-19(11-13-25)24-21-16-20(21)18-7-3-2-4-8-18/h2-9,19-21,24H,10-16H2,1H3/t20-,21+/m0/s1
InChIKeyKZDCRNMQFFIENF-LEWJYISDSA-N
MW351.49 g/mol
LogP3.38
Rot. Bonds7

About 1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine

1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine (PubChem CID 129279636) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
PubChem CID129279636
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
SMILESCc1cccc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)n1
InChIInChI=1S/C22H29N3O/c1-17-6-5-9-22(23-17)26-15-14-25-12-10-19(11-13-25)24-21-16-20(21)18-7-3-2-4-8-18/h2-9,19-21,24H,10-16H2,1H3/t20-,21+/m0/s1
InChIKeyKZDCRNMQFFIENF-LEWJYISDSA-N
XLogP3.38
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The IUPAC name of 1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine (CID 129279636) is 1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The canonical SMILES for 1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine is Cc1cccc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)n1.
What is the InChIKey of 1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The InChIKey is KZDCRNMQFFIENF-LEWJYISDSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17-6-5-9-22(23-17)26-15-14-25-12-10-19(11-13-25)24-21-16-20(21)18-7-3-2-4-8-18/h2-9,19-21,24H,10-16H2,1H3/t20-,21+/m0/s1.
What are the key properties of 1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine has a molecular weight of 351.49 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine is sourced from PubChem (CID 129279636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).