N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine

C14H23BrN2S — CID 54866584

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine
SMILESCC(C)(C)N1CCC(NCc2cc(Br)cs2)CC1
InChIInChI=1S/C14H23BrN2S/c1-14(2,3)17-6-4-12(5-7-17)16-9-13-8-11(15)10-18-13/h8,10,12,16H,4-7,9H2,1-3H3
InChIKeyZNPQDCCFVPZIKU-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.86
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine

N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine (PubChem CID 54866584) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine
PubChem CID54866584
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine
SMILESCC(C)(C)N1CCC(NCc2cc(Br)cs2)CC1
InChIInChI=1S/C14H23BrN2S/c1-14(2,3)17-6-4-12(5-7-17)16-9-13-8-11(15)10-18-13/h8,10,12,16H,4-7,9H2,1-3H3
InChIKeyZNPQDCCFVPZIKU-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 43747754
[4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 43434784
N-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696389
1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 63001484
trans-(1S,3S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylcyclohexan-1-amine
CID 93287197
N-[(4-bromothiophen-2-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104588894
1-tert-butyl-N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 103776736
N-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine
CID 103081827
N-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine
CID 79420660
2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol
CID 115685147
N-[(4-bromothiophen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43123617
(2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine
CID 97358196

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine (CID 54866584) is N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine is CC(C)(C)N1CCC(NCc2cc(Br)cs2)CC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine?
The InChIKey is ZNPQDCCFVPZIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-14(2,3)17-6-4-12(5-7-17)16-9-13-8-11(15)10-18-13/h8,10,12,16H,4-7,9H2,1-3H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine?
N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine has a molecular weight of 331.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine is sourced from PubChem (CID 54866584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).