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

C14H26ClN3S — CID 71743675

IUPAC1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine;hydrochloride
SMILESC[C@H](CCN)N1CCC(NCc2ccsc2)CC1.Cl
InChIInChI=1S/C14H25N3S.ClH/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;1H/t12-;/m1./s1
InChIKeyLQTYOZMHKXDFTL-UTONKHPSSA-N
MW303.90 g/mol
LogP2.46
Rot. Bonds6

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

1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine;hydrochloride (PubChem CID 71743675) has the molecular formula C14H26ClN3S and a molecular weight of 303.90 g/mol. Its IUPAC name is 1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine;hydrochloride
PubChem CID71743675
Molecular FormulaC14H26ClN3S
Molecular Weight303.90 g/mol
Exact Mass303.15
IUPAC Name1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine;hydrochloride
SMILESC[C@H](CCN)N1CCC(NCc2ccsc2)CC1.Cl
InChIInChI=1S/C14H25N3S.ClH/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;1H/t12-;/m1./s1
InChIKeyLQTYOZMHKXDFTL-UTONKHPSSA-N
XLogP2.46
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.90
LogP ≤ 52.46
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;hydrochloride?
The IUPAC name of 1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine;hydrochloride (CID 71743675) is 1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine;hydrochloride is C[C@H](CCN)N1CCC(NCc2ccsc2)CC1.Cl.
What is the InChIKey of 1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine;hydrochloride?
The InChIKey is LQTYOZMHKXDFTL-UTONKHPSSA-N. The full InChI is InChI=1S/C14H25N3S.ClH/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;1H/t12-;/m1./s1.
What are the key properties of 1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine;hydrochloride?
1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine;hydrochloride has a molecular weight of 303.90 g/mol, XLogP of 2.46, 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;hydrochloride is sourced from PubChem (CID 71743675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).