1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

C15H29ClN4 — CID 120782222

IUPAC1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC(C)(C)c1[nH]ncc1CN1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C15H28N4.ClH/c1-14(2,3)13-11(8-17-18-13)9-19-7-6-12(16)15(4,5)10-19;/h8,12H,6-7,9-10,16H2,1-5H3,(H,17,18);1H
InChIKeyDRNFJCVNWLYNQJ-UHFFFAOYSA-N
MW300.88 g/mol
LogP2.69
Rot. Bonds2

About 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120782222) has the molecular formula C15H29ClN4 and a molecular weight of 300.88 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120782222
Molecular FormulaC15H29ClN4
Molecular Weight300.88 g/mol
Exact Mass300.21
IUPAC Name1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC(C)(C)c1[nH]ncc1CN1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C15H28N4.ClH/c1-14(2,3)13-11(8-17-18-13)9-19-7-6-12(16)15(4,5)10-19;/h8,12H,6-7,9-10,16H2,1-5H3,(H,17,18);1H
InChIKeyDRNFJCVNWLYNQJ-UHFFFAOYSA-N
XLogP2.69
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.88
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120782222) is 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is CC(C)(C)c1[nH]ncc1CN1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is DRNFJCVNWLYNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4.ClH/c1-14(2,3)13-11(8-17-18-13)9-19-7-6-12(16)15(4,5)10-19;/h8,12H,6-7,9-10,16H2,1-5H3,(H,17,18);1H.
What are the key properties of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 300.88 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120782222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).