N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-pyrimidin-5-yloxyethyl)piperidin-4-amine

C20H26N4O — CID 129280536

IUPACN-[(1R,2S)-2-phenylcyclopropyl]-1-(2-pyrimidin-5-yloxyethyl)piperidin-4-amine
SMILESc1ccc([C@@H]2C[C@H]2NC2CCN(CCOc3cncnc3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-2-4-16(5-3-1)19-12-20(19)23-17-6-8-24(9-7-17)10-11-25-18-13-21-15-22-14-18/h1-5,13-15,17,19-20,23H,6-12H2/t19-,20+/m0/s1
InChIKeyOJBQQYIZUWKQOC-VQTJNVASSA-N
MW338.45 g/mol
LogP2.47
Rot. Bonds7

About N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-pyrimidin-5-yloxyethyl)piperidin-4-amine

N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-pyrimidin-5-yloxyethyl)piperidin-4-amine (PubChem CID 129280536) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-pyrimidin-5-yloxyethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-phenylcyclopropyl]-1-(2-pyrimidin-5-yloxyethyl)piperidin-4-amine
PubChem CID129280536
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-[(1R,2S)-2-phenylcyclopropyl]-1-(2-pyrimidin-5-yloxyethyl)piperidin-4-amine
SMILESc1ccc([C@@H]2C[C@H]2NC2CCN(CCOc3cncnc3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-2-4-16(5-3-1)19-12-20(19)23-17-6-8-24(9-7-17)10-11-25-18-13-21-15-22-14-18/h1-5,13-15,17,19-20,23H,6-12H2/t19-,20+/m0/s1
InChIKeyOJBQQYIZUWKQOC-VQTJNVASSA-N
XLogP2.47
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-pyrimidin-5-yloxyethyl)piperidin-4-amine?
The IUPAC name of N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-pyrimidin-5-yloxyethyl)piperidin-4-amine (CID 129280536) is N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-pyrimidin-5-yloxyethyl)piperidin-4-amine.
What is the SMILES notation for N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-pyrimidin-5-yloxyethyl)piperidin-4-amine?
The canonical SMILES for N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-pyrimidin-5-yloxyethyl)piperidin-4-amine is c1ccc([C@@H]2C[C@H]2NC2CCN(CCOc3cncnc3)CC2)cc1.
What is the InChIKey of N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-pyrimidin-5-yloxyethyl)piperidin-4-amine?
The InChIKey is OJBQQYIZUWKQOC-VQTJNVASSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-4-16(5-3-1)19-12-20(19)23-17-6-8-24(9-7-17)10-11-25-18-13-21-15-22-14-18/h1-5,13-15,17,19-20,23H,6-12H2/t19-,20+/m0/s1.
What are the key properties of N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-pyrimidin-5-yloxyethyl)piperidin-4-amine?
N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-pyrimidin-5-yloxyethyl)piperidin-4-amine has a molecular weight of 338.45 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-phenylcyclopropyl]-1-(2-pyrimidin-5-yloxyethyl)piperidin-4-amine is sourced from PubChem (CID 129280536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).