1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine

C14H26N4 — CID 63001589

IUPAC1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
SMILESCn1cncc1CNC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H26N4/c1-14(2,3)18-7-5-12(6-8-18)16-10-13-9-15-11-17(13)4/h9,11-12,16H,5-8,10H2,1-4H3
InChIKeyADCANWJZDDAJKI-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.77
Rot. Bonds3

About 1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine

1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine (PubChem CID 63001589) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
PubChem CID63001589
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
SMILESCn1cncc1CNC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H26N4/c1-14(2,3)18-7-5-12(6-8-18)16-10-13-9-15-11-17(13)4/h9,11-12,16H,5-8,10H2,1-4H3
InChIKeyADCANWJZDDAJKI-UHFFFAOYSA-N
XLogP1.77
TPSA33.09 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine (CID 63001589) is 1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine is Cn1cncc1CNC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is ADCANWJZDDAJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-14(2,3)18-7-5-12(6-8-18)16-10-13-9-15-11-17(13)4/h9,11-12,16H,5-8,10H2,1-4H3.
What are the key properties of 1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine?
1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 250.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 63001589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).