1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazol-4-amine

C14H26N4 — CID 62138262

IUPAC1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazol-4-amine
SMILESCC(C)(C)C1CCN(CCn2cc(N)cn2)CC1
InChIInChI=1S/C14H26N4/c1-14(2,3)12-4-6-17(7-5-12)8-9-18-11-13(15)10-16-18/h10-12H,4-9,15H2,1-3H3
InChIKeyPGZWJOHJIKYWOQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.22
Rot. Bonds3

About 1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazol-4-amine

1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazol-4-amine (PubChem CID 62138262) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazol-4-amine
PubChem CID62138262
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazol-4-amine
SMILESCC(C)(C)C1CCN(CCn2cc(N)cn2)CC1
InChIInChI=1S/C14H26N4/c1-14(2,3)12-4-6-17(7-5-12)8-9-18-11-13(15)10-16-18/h10-12H,4-9,15H2,1-3H3
InChIKeyPGZWJOHJIKYWOQ-UHFFFAOYSA-N
XLogP2.22
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazol-4-amine (CID 62138262) is 1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazol-4-amine is CC(C)(C)C1CCN(CCn2cc(N)cn2)CC1.
What is the InChIKey of 1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazol-4-amine?
The InChIKey is PGZWJOHJIKYWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-14(2,3)12-4-6-17(7-5-12)8-9-18-11-13(15)10-16-18/h10-12H,4-9,15H2,1-3H3.
What are the key properties of 1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazol-4-amine?
1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazol-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylpiperidin-1-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 62138262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).