1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine

C14H25N3S — CID 68776783

IUPAC1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine
SMILESC[C@H](CCN)N1CCC(NCc2ccsc2)CC1
InChIInChI=1S/C14H25N3S/c1-12(2-6-15)17-7-3-14(4-8-17)16-10-13-5-9-18-11-13/h5,9,11-12,14,16H,2-4,6-8,10,15H2,1H3/t12-/m1/s1
InChIKeySDGULFVEXTYVHF-GFCCVEGCSA-N
MW267.44 g/mol
LogP2.04
Rot. Bonds6

About 1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine

1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine (PubChem CID 68776783) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine
PubChem CID68776783
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine
SMILESC[C@H](CCN)N1CCC(NCc2ccsc2)CC1
InChIInChI=1S/C14H25N3S/c1-12(2-6-15)17-7-3-14(4-8-17)16-10-13-5-9-18-11-13/h5,9,11-12,14,16H,2-4,6-8,10,15H2,1H3/t12-/m1/s1
InChIKeySDGULFVEXTYVHF-GFCCVEGCSA-N
XLogP2.04
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine (CID 68776783) is 1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine is C[C@H](CCN)N1CCC(NCc2ccsc2)CC1.
What is the InChIKey of 1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine?
The InChIKey is SDGULFVEXTYVHF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N3S/c1-12(2-6-15)17-7-3-14(4-8-17)16-10-13-5-9-18-11-13/h5,9,11-12,14,16H,2-4,6-8,10,15H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine?
1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine has a molecular weight of 267.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 68776783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).