1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine

C14H23ClN2O — CID 54866594

IUPAC1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCc2ccc(Cl)o2)CC1
InChIInChI=1S/C14H23ClN2O/c1-14(2,3)17-8-6-11(7-9-17)16-10-12-4-5-13(15)18-12/h4-5,11,16H,6-10H2,1-3H3
InChIKeyWPQJKRRJFJOFOB-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.29
Rot. Bonds3

About 1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine

1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine (PubChem CID 54866594) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine
PubChem CID54866594
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCc2ccc(Cl)o2)CC1
InChIInChI=1S/C14H23ClN2O/c1-14(2,3)17-8-6-11(7-9-17)16-10-12-4-5-13(15)18-12/h4-5,11,16H,6-10H2,1-3H3
InChIKeyWPQJKRRJFJOFOB-UHFFFAOYSA-N
XLogP3.29
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(5-chlorofuran-2-yl)methylamino]piperidin-1-yl]benzoic acid
CID 166237714
N-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine
CID 115671447
1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 54866694
1-tert-butyl-N-[(2-fluorophenyl)methyl]piperidin-4-amine
CID 54866682
1-tert-butyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 51085983
N-[(5-chlorofuran-2-yl)methyl]-2-cyclopropylpropan-2-amine
CID 103700076
tert-butyl N-[4-[(5-chlorofuran-2-yl)methylamino]cyclohexyl]-N-methylcarbamate
CID 107255728
1-tert-butyl-N-(1H-pyrrol-2-ylmethyl)piperidin-4-amine
CID 62340584
2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol
CID 115904880
1-tert-butyl-N-[(3-chloro-5-fluorophenyl)methyl]piperidin-4-amine
CID 114452693
2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-4,6-dichlorophenol
CID 60931668
(3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 93318901

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine (CID 54866594) is 1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine is CC(C)(C)N1CCC(NCc2ccc(Cl)o2)CC1.
What is the InChIKey of 1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine?
The InChIKey is WPQJKRRJFJOFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-14(2,3)17-8-6-11(7-9-17)16-10-12-4-5-13(15)18-12/h4-5,11,16H,6-10H2,1-3H3.
What are the key properties of 1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine?
1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine has a molecular weight of 270.80 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(5-chlorofuran-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 54866594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).