1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine

C14H25N3 — CID 62340584

IUPAC1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCc2ccc[nH]2)CC1
InChIInChI=1S/C14H25N3/c1-14(2,3)17-9-6-12(7-10-17)16-11-13-5-4-8-15-13/h4-5,8,12,15-16H,6-7,9-11H2,1-3H3
InChIKeyBDAOCKPMOZCZNM-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.37
Rot. Bonds3

About 1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine

1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine (PubChem CID 62340584) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine
PubChem CID62340584
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCc2ccc[nH]2)CC1
InChIInChI=1S/C14H25N3/c1-14(2,3)17-9-6-12(7-10-17)16-11-13-5-4-8-15-13/h4-5,8,12,15-16H,6-7,9-11H2,1-3H3
InChIKeyBDAOCKPMOZCZNM-UHFFFAOYSA-N
XLogP2.37
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine (CID 62340584) is 1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine is CC(C)(C)N1CCC(NCc2ccc[nH]2)CC1.
What is the InChIKey of 1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine?
The InChIKey is BDAOCKPMOZCZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-14(2,3)17-9-6-12(7-10-17)16-11-13-5-4-8-15-13/h4-5,8,12,15-16H,6-7,9-11H2,1-3H3.
What are the key properties of 1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine?
1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine has a molecular weight of 235.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 62340584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).