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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Related Compounds

2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol
CID 114797123
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-chlorothiophen-2-yl)butan-2-amine
CID 79918784
1-[2-amino-1-(furan-2-yl)butyl]-4-methylpiperidin-4-ol
CID 81097054
1-(5-bromothiophen-2-yl)-1-(4,4-dimethylazepan-1-yl)butan-2-amine
CID 65283675
1-[2-amino-1-(4-methoxyphenyl)butyl]-3-methylpyrrolidin-3-ol
CID 103355454
1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine
CID 103494158
1-(4-tert-butylpiperidin-1-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine
CID 62089681
1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine
CID 55015329
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064411
1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine
CID 55021852
1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 43114556
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112

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).