[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine

C16H22N4 — CID 62885174

IUPAC[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(Cc2ccn(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H22N4/c17-12-14-6-9-19(10-7-14)13-15-8-11-20(18-15)16-4-2-1-3-5-16/h1-5,8,11,14H,6-7,9-10,12-13,17H2
InChIKeyRFMZMFBCXPRQGT-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.04
Rot. Bonds4

About [1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine

[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine (PubChem CID 62885174) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is [1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
PubChem CID62885174
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(Cc2ccn(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H22N4/c17-12-14-6-9-19(10-7-14)13-15-8-11-20(18-15)16-4-2-1-3-5-16/h1-5,8,11,14H,6-7,9-10,12-13,17H2
InChIKeyRFMZMFBCXPRQGT-UHFFFAOYSA-N
XLogP2.04
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine (CID 62885174) is [1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine is NCC1CCN(Cc2ccn(-c3ccccc3)n2)CC1.
What is the InChIKey of [1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine?
The InChIKey is RFMZMFBCXPRQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c17-12-14-6-9-19(10-7-14)13-15-8-11-20(18-15)16-4-2-1-3-5-16/h1-5,8,11,14H,6-7,9-10,12-13,17H2.
What are the key properties of [1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine?
[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 62885174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).