(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine

C10H18N4 — CID 95935060

IUPAC(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine
SMILESCc1cc(CN2CCC[C@@H](N)C2)n[nH]1
InChIInChI=1S/C10H18N4/c1-8-5-10(13-12-8)7-14-4-2-3-9(11)6-14/h5,9H,2-4,6-7,11H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyRNMILGZZPSQHPY-SECBINFHSA-N
MW194.28 g/mol
LogP0.64
Rot. Bonds2

About (3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine

(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine (PubChem CID 95935060) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine
PubChem CID95935060
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine
SMILESCc1cc(CN2CCC[C@@H](N)C2)n[nH]1
InChIInChI=1S/C10H18N4/c1-8-5-10(13-12-8)7-14-4-2-3-9(11)6-14/h5,9H,2-4,6-7,11H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyRNMILGZZPSQHPY-SECBINFHSA-N
XLogP0.64
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine (CID 95935060) is (3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine is Cc1cc(CN2CCC[C@@H](N)C2)n[nH]1.
What is the InChIKey of (3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine?
The InChIKey is RNMILGZZPSQHPY-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N4/c1-8-5-10(13-12-8)7-14-4-2-3-9(11)6-14/h5,9H,2-4,6-7,11H2,1H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine?
(3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine has a molecular weight of 194.28 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 95935060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).