(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine

C18H25N3S — CID 51613857

IUPAC(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine
SMILESC[C@H](N)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H25N3S/c1-15(19)18(17-8-5-13-22-17)21-11-9-20(10-12-21)14-16-6-3-2-4-7-16/h2-8,13,15,18H,9-12,14,19H2,1H3/t15-,18-/m0/s1
InChIKeyXSKAVNAYEIVLKN-YJBOKZPZSA-N
MW315.49 g/mol
LogP2.95
Rot. Bonds5

About (1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine

(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine (PubChem CID 51613857) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is (1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine
PubChem CID51613857
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC Name(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine
SMILESC[C@H](N)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H25N3S/c1-15(19)18(17-8-5-13-22-17)21-11-9-20(10-12-21)14-16-6-3-2-4-7-16/h2-8,13,15,18H,9-12,14,19H2,1H3/t15-,18-/m0/s1
InChIKeyXSKAVNAYEIVLKN-YJBOKZPZSA-N
XLogP2.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine
CID 51862509
N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 3245545
N-[(1S,2R)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 29181343
N-[(1R,2R)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 29181337
N-[(1R,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 7110794
N-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110824
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-2-amine
CID 62886596
N-benzyl-N'-[(1R,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 30675335
1-benzyl-N-(1-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 43150704
1-[4-(2-amino-1-thiophen-2-ylpropyl)piperazin-1-yl]ethanone
CID 55022240
1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 6603093
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of (1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine (CID 51613857) is (1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for (1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for (1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine is C[C@H](N)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine?
The InChIKey is XSKAVNAYEIVLKN-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H25N3S/c1-15(19)18(17-8-5-13-22-17)21-11-9-20(10-12-21)14-16-6-3-2-4-7-16/h2-8,13,15,18H,9-12,14,19H2,1H3/t15-,18-/m0/s1.
What are the key properties of (1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine?
(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine has a molecular weight of 315.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 51613857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).