[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine

C20H28N4O — CID 169094860

IUPAC[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)CC1
InChIInChI=1S/C20H28N4O/c21-13-16-8-10-23(11-9-16)19-6-4-17(5-7-19)18-14-22-24(15-18)20-3-1-2-12-25-20/h4-7,14-16,20H,1-3,8-13,21H2
InChIKeyLMSJDNLOCWAEEP-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.42
Rot. Bonds4

About [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine

[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine (PubChem CID 169094860) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine
PubChem CID169094860
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)CC1
InChIInChI=1S/C20H28N4O/c21-13-16-8-10-23(11-9-16)19-6-4-17(5-7-19)18-14-22-24(15-18)20-3-1-2-12-25-20/h4-7,14-16,20H,1-3,8-13,21H2
InChIKeyLMSJDNLOCWAEEP-UHFFFAOYSA-N
XLogP3.42
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine (CID 169094860) is [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine is NCC1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)CC1.
What is the InChIKey of [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine?
The InChIKey is LMSJDNLOCWAEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c21-13-16-8-10-23(11-9-16)19-6-4-17(5-7-19)18-14-22-24(15-18)20-3-1-2-12-25-20/h4-7,14-16,20H,1-3,8-13,21H2.
What are the key properties of [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine?
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine has a molecular weight of 340.47 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 169094860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).