1-(4-tert-butylpiperidin-1-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine

C16H27ClN2S — CID 62089681

IUPAC1-(4-tert-butylpiperidin-1-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine
SMILESCC(N)C(c1ccc(Cl)s1)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H27ClN2S/c1-11(18)15(13-5-6-14(17)20-13)19-9-7-12(8-10-19)16(2,3)4/h5-6,11-12,15H,7-10,18H2,1-4H3
InChIKeyAOCWMGLWGMMNAI-UHFFFAOYSA-N
MW314.93 g/mol
LogP4.55
Rot. Bonds3

About 1-(4-tert-butylpiperidin-1-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine

1-(4-tert-butylpiperidin-1-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine (PubChem CID 62089681) has the molecular formula C16H27ClN2S and a molecular weight of 314.93 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine
PubChem CID62089681
Molecular FormulaC16H27ClN2S
Molecular Weight314.93 g/mol
Exact Mass314.16
IUPAC Name1-(4-tert-butylpiperidin-1-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine
SMILESCC(N)C(c1ccc(Cl)s1)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H27ClN2S/c1-11(18)15(13-5-6-14(17)20-13)19-9-7-12(8-10-19)16(2,3)4/h5-6,11-12,15H,7-10,18H2,1-4H3
InChIKeyAOCWMGLWGMMNAI-UHFFFAOYSA-N
XLogP4.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.93
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine (CID 62089681) is 1-(4-tert-butylpiperidin-1-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine is CC(N)C(c1ccc(Cl)s1)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine?
The InChIKey is AOCWMGLWGMMNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2S/c1-11(18)15(13-5-6-14(17)20-13)19-9-7-12(8-10-19)16(2,3)4/h5-6,11-12,15H,7-10,18H2,1-4H3.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine?
1-(4-tert-butylpiperidin-1-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine has a molecular weight of 314.93 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine is sourced from PubChem (CID 62089681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).