N-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline

C17H24N4 — CID 62655278

IUPACN-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
SMILESCN1CCCCC1CNc1ccccc1Cn1cccn1
InChIInChI=1S/C17H24N4/c1-20-11-5-4-8-16(20)13-18-17-9-3-2-7-15(17)14-21-12-6-10-19-21/h2-3,6-7,9-10,12,16,18H,4-5,8,11,13-14H2,1H3
InChIKeyUACNXVKNFSJPGG-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.83
Rot. Bonds5

About N-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline

N-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline (PubChem CID 62655278) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
PubChem CID62655278
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
SMILESCN1CCCCC1CNc1ccccc1Cn1cccn1
InChIInChI=1S/C17H24N4/c1-20-11-5-4-8-16(20)13-18-17-9-3-2-7-15(17)14-21-12-6-10-19-21/h2-3,6-7,9-10,12,16,18H,4-5,8,11,13-14H2,1H3
InChIKeyUACNXVKNFSJPGG-UHFFFAOYSA-N
XLogP2.83
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 24866288
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CID 71710904
CID 71710904
CID 21219157
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CID 206694
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CID 2764412
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CID 7015036
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CID 43817898
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CID 44452853
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CID 10403608
CID 10403608

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline?
The IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline (CID 62655278) is N-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for N-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for N-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline is CN1CCCCC1CNc1ccccc1Cn1cccn1.
What is the InChIKey of N-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline?
The InChIKey is UACNXVKNFSJPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-20-11-5-4-8-16(20)13-18-17-9-3-2-7-15(17)14-21-12-6-10-19-21/h2-3,6-7,9-10,12,16,18H,4-5,8,11,13-14H2,1H3.
What are the key properties of N-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline?
N-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline has a molecular weight of 284.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 62655278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).