N-[2-(1-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine

C17H30N4 — CID 106104216

IUPACN-[2-(1-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine
SMILESCn1ccc(CCNC2CCCCC2C2CCCCN2)n1
InChIInChI=1S/C17H30N4/c1-21-13-10-14(20-21)9-12-19-17-7-3-2-6-15(17)16-8-4-5-11-18-16/h10,13,15-19H,2-9,11-12H2,1H3
InChIKeyFBFJAVRQARZCIN-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.25
Rot. Bonds5

About N-[2-(1-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine

N-[2-(1-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine (PubChem CID 106104216) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine
PubChem CID106104216
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC NameN-[2-(1-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine
SMILESCn1ccc(CCNC2CCCCC2C2CCCCN2)n1
InChIInChI=1S/C17H30N4/c1-21-13-10-14(20-21)9-12-19-17-7-3-2-6-15(17)16-8-4-5-11-18-16/h10,13,15-19H,2-9,11-12H2,1H3
InChIKeyFBFJAVRQARZCIN-UHFFFAOYSA-N
XLogP2.25
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine?
The IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine (CID 106104216) is N-[2-(1-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(1-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[2-(1-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine is Cn1ccc(CCNC2CCCCC2C2CCCCN2)n1.
What is the InChIKey of N-[2-(1-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine?
The InChIKey is FBFJAVRQARZCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-21-13-10-14(20-21)9-12-19-17-7-3-2-6-15(17)16-8-4-5-11-18-16/h10,13,15-19H,2-9,11-12H2,1H3.
What are the key properties of N-[2-(1-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine?
N-[2-(1-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclohexan-1-amine is sourced from PubChem (CID 106104216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).