1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]-4-methylpiperidin-4-ol

C14H23ClN2OS — CID 81097160

IUPAC1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]-4-methylpiperidin-4-ol
SMILESCCC(N)C(c1ccc(Cl)s1)N1CCC(C)(O)CC1
InChIInChI=1S/C14H23ClN2OS/c1-3-10(16)13(11-4-5-12(15)19-11)17-8-6-14(2,18)7-9-17/h4-5,10,13,18H,3,6-9,16H2,1-2H3
InChIKeyMSPOVNGDJAUJES-UHFFFAOYSA-N
MW302.87 g/mol
LogP3.03
Rot. Bonds4

About 1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]-4-methylpiperidin-4-ol

1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]-4-methylpiperidin-4-ol (PubChem CID 81097160) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is 1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]-4-methylpiperidin-4-ol
PubChem CID81097160
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC Name1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]-4-methylpiperidin-4-ol
SMILESCCC(N)C(c1ccc(Cl)s1)N1CCC(C)(O)CC1
InChIInChI=1S/C14H23ClN2OS/c1-3-10(16)13(11-4-5-12(15)19-11)17-8-6-14(2,18)7-9-17/h4-5,10,13,18H,3,6-9,16H2,1-2H3
InChIKeyMSPOVNGDJAUJES-UHFFFAOYSA-N
XLogP3.03
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]-4-methylpiperidin-4-ol (CID 81097160) is 1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]-4-methylpiperidin-4-ol is CCC(N)C(c1ccc(Cl)s1)N1CCC(C)(O)CC1.
What is the InChIKey of 1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]-4-methylpiperidin-4-ol?
The InChIKey is MSPOVNGDJAUJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2OS/c1-3-10(16)13(11-4-5-12(15)19-11)17-8-6-14(2,18)7-9-17/h4-5,10,13,18H,3,6-9,16H2,1-2H3.
What are the key properties of 1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]-4-methylpiperidin-4-ol?
1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]-4-methylpiperidin-4-ol has a molecular weight of 302.87 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81097160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).